AF36929
312-51-6 | 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AF36929
ChemicalName
4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CasNumber
312-51-6
MolecularFormula
C13H9F3N2O4S
MolecularWeight
346.2818
MdlNumber
MFCD00557265
Smiles
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Complexity
511
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AF36929
ChemicalName: 4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CasNumber: 312-51-6
MolecularFormula: C13H9F3N2O4S
MolecularWeight: 346.2818
MdlNumber: MFCD00557265
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Complexity: 511
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AF36929
ChemicalName:
4-Nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CasNumber:
312-51-6
MolecularFormula:
C13H9F3N2O4S
MolecularWeight:
346.2818
MdlNumber:
MFCD00557265
Smiles:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Complexity:
511
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AF36930
ChemicalName: 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)propanenitrile
CasNumber: 2361-34-4
MolecularFormula: C7H9N3O
MolecularWeight: 151.1659
MdlNumber: MFCD00756904
Smiles: CC1=NN(C(=O)C1)CCC#N
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AF36930
ChemicalName:
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)propanenitrile
CasNumber:
2361-34-4
MolecularFormula:
C7H9N3O
MolecularWeight:
151.1659
MdlNumber:
MFCD00756904
Smiles:
CC1=NN(C(=O)C1)CCC#N
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: AF36931
ChemicalName: Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber: 221381-89-1
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD00584781
Smiles: COC(=O)c1ccc(cc1)N1CCCC1=O
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AF36931
ChemicalName:
Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber:
221381-89-1
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD00584781
Smiles:
COC(=O)c1ccc(cc1)N1CCCC1=O
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AF36932
ChemicalName: t-Butyl 4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber: 223609-09-4
MolecularFormula: C12H17N3O3
MolecularWeight: 251.2817
MdlNumber: MFCD11869801
Smiles: O=C(N1CCc2c(C1)c(O)ncn2)OC(C)(C)C
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AF36932
ChemicalName:
t-Butyl 4-hydroxy-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CasNumber:
223609-09-4
MolecularFormula:
C12H17N3O3
MolecularWeight:
251.2817
MdlNumber:
MFCD11869801
Smiles:
O=C(N1CCc2c(C1)c(O)ncn2)OC(C)(C)C
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
__