N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide

C17H18ClNO2S — CID 51249164

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO2S/c18-16-10-8-15(9-11-16)17(14-6-7-14)19-22(20,21)12-13-4-2-1-3-5-13/h1-5,8-11,14,17,19H,6-7,12H2
InChIKeyAAVQZFVEIUYEAK-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.91
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide (PubChem CID 51249164) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
PubChem CID51249164
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO2S/c18-16-10-8-15(9-11-16)17(14-6-7-14)19-22(20,21)12-13-4-2-1-3-5-13/h1-5,8-11,14,17,19H,6-7,12H2
InChIKeyAAVQZFVEIUYEAK-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid
CID 43361844
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 94640588
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
CID 41200260
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
CID 30037407

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide (CID 51249164) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide?
The InChIKey is AAVQZFVEIUYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-16-10-8-15(9-11-16)17(14-6-7-14)19-22(20,21)12-13-4-2-1-3-5-13/h1-5,8-11,14,17,19H,6-7,12H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 51249164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).