AI40728
1820686-52-9 | N-Butyl-N-(2-cyanophenyl)methanesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI40728
ChemicalName
N-Butyl-N-(2-cyanophenyl)methanesulfonamide
CasNumber
1820686-52-9
MolecularFormula
C12H16N2O2S
MolecularWeight
252.3326
MdlNumber
MFCD28127189
Smiles
CCCCN(S(=O)(=O)C)c1ccccc1C#N
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2
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CatalogNumber: AI40728
ChemicalName: N-Butyl-N-(2-cyanophenyl)methanesulfonamide
CasNumber: 1820686-52-9
MolecularFormula: C12H16N2O2S
MolecularWeight: 252.3326
MdlNumber: MFCD28127189
Smiles: CCCCN(S(=O)(=O)C)c1ccccc1C#N
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AI40728
ChemicalName:
N-Butyl-N-(2-cyanophenyl)methanesulfonamide
CasNumber:
1820686-52-9
MolecularFormula:
C12H16N2O2S
MolecularWeight:
252.3326
MdlNumber:
MFCD28127189
Smiles:
CCCCN(S(=O)(=O)C)c1ccccc1C#N
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2
CatalogNumber: AI40730
ChemicalName: Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber: 1820686-69-8
MolecularFormula: C15H18BrNO4
MolecularWeight: 356.2117
MdlNumber: MFCD28101643
Smiles: CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
Xlogp3: 4.3
CatalogNumber:
AI40730
ChemicalName:
Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber:
1820686-69-8
MolecularFormula:
C15H18BrNO4
MolecularWeight:
356.2117
MdlNumber:
MFCD28101643
Smiles:
CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(n1)ccc(c2)Cl
Complexity: 176
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc2c(n1)ccc(c2)Cl
Complexity:
176
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COC(=O)c1cccc(c1)c1cc(F)ccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1cccc(c1)c1cc(F)ccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__