AI43995
195433-54-6 | N-Isopropyl-N-(2-nitrophenyl)methanesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI43995
ChemicalName
N-Isopropyl-N-(2-nitrophenyl)methanesulfonamide
CasNumber
195433-54-6
MolecularFormula
C10H14N2O4S
MolecularWeight
258.2942
MdlNumber
MFCD28096637
Smiles
CC(N(S(=O)(=O)C)c1ccccc1[N+](=O)[O-])C
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AI43995
ChemicalName: N-Isopropyl-N-(2-nitrophenyl)methanesulfonamide
CasNumber: 195433-54-6
MolecularFormula: C10H14N2O4S
MolecularWeight: 258.2942
MdlNumber: MFCD28096637
Smiles: CC(N(S(=O)(=O)C)c1ccccc1[N+](=O)[O-])C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AI43995
ChemicalName:
N-Isopropyl-N-(2-nitrophenyl)methanesulfonamide
CasNumber:
195433-54-6
MolecularFormula:
C10H14N2O4S
MolecularWeight:
258.2942
MdlNumber:
MFCD28096637
Smiles:
CC(N(S(=O)(=O)C)c1ccccc1[N+](=O)[O-])C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI43997
ChemicalName: KY 12420
CasNumber: 19545-26-7
MolecularFormula: C23H24O8
MolecularWeight: 428.43185999999986
MdlNumber: MFCD00133927
Smiles: COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2
Complexity: 921
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 8
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AI43997
ChemicalName:
KY 12420
CasNumber:
19545-26-7
MolecularFormula:
C23H24O8
MolecularWeight:
428.43185999999986
MdlNumber:
MFCD00133927
Smiles:
COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2
Complexity:
921
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
8
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(=O)C([2H])([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(=O)C([2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__