AI40883
1820710-57-3 | Methyl 4-(N-butylmethanesulfonamido)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI40883
ChemicalName
Methyl 4-(N-butylmethanesulfonamido)benzoate
CasNumber
1820710-57-3
MolecularFormula
C13H19NO4S
MolecularWeight
285.3593
MdlNumber
MFCD28252210
Smiles
CCCCN(S(=O)(=O)C)c1ccc(cc1)C(=O)OC
Complexity
380
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
2.2
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CatalogNumber: AI40883
ChemicalName: Methyl 4-(N-butylmethanesulfonamido)benzoate
CasNumber: 1820710-57-3
MolecularFormula: C13H19NO4S
MolecularWeight: 285.3593
MdlNumber: MFCD28252210
Smiles: CCCCN(S(=O)(=O)C)c1ccc(cc1)C(=O)OC
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 2.2
CatalogNumber:
AI40883
ChemicalName:
Methyl 4-(N-butylmethanesulfonamido)benzoate
CasNumber:
1820710-57-3
MolecularFormula:
C13H19NO4S
MolecularWeight:
285.3593
MdlNumber:
MFCD28252210
Smiles:
CCCCN(S(=O)(=O)C)c1ccc(cc1)C(=O)OC
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
2.2
CatalogNumber: AI40885
ChemicalName: 2-(Cyanomethyl)benzene-1,4-dicarboxylic acid
CasNumber: 1820710-62-0
MolecularFormula: C10H7NO4
MolecularWeight: 205.1669
MdlNumber: MFCD28122671
Smiles: N#CCc1cc(ccc1C(=O)O)C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AI40885
ChemicalName:
2-(Cyanomethyl)benzene-1,4-dicarboxylic acid
CasNumber:
1820710-62-0
MolecularFormula:
C10H7NO4
MolecularWeight:
205.1669
MdlNumber:
MFCD28122671
Smiles:
N#CCc1cc(ccc1C(=O)O)C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: AI40886
ChemicalName: N,N-Bis[(2-Cyanophenyl)methyl]methanesulfonamide
CasNumber: 1820710-63-1
MolecularFormula: C17H15N3O2S
MolecularWeight: 325.3849
MdlNumber: MFCD28127191
Smiles: N#Cc1ccccc1CN(S(=O)(=O)C)Cc1ccccc1C#N
Complexity: 554
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AI40886
ChemicalName:
N,N-Bis[(2-Cyanophenyl)methyl]methanesulfonamide
CasNumber:
1820710-63-1
MolecularFormula:
C17H15N3O2S
MolecularWeight:
325.3849
MdlNumber:
MFCD28127191
Smiles:
N#Cc1ccccc1CN(S(=O)(=O)C)Cc1ccccc1C#N
Complexity:
554
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
1.9
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Smiles: COC(=O)c1ccc(cc1F)c1ccccc1F
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Smiles:
COC(=O)c1ccc(cc1F)c1ccccc1F
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