3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide

C16H16ClNO2S — CID 30037407

IUPAC3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2S/c17-14-7-4-8-15(11-14)21(19,20)18-16(13-9-10-13)12-5-2-1-3-6-12/h1-8,11,13,16,18H,9-10H2/t16-/m1/s1
InChIKeyADZMRBMGHFSHDK-MRXNPFEDSA-N
MW321.83 g/mol
LogP3.77
Rot. Bonds5

About 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide

3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide (PubChem CID 30037407) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
PubChem CID30037407
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2S/c17-14-7-4-8-15(11-14)21(19,20)18-16(13-9-10-13)12-5-2-1-3-6-12/h1-8,11,13,16,18H,9-10H2/t16-/m1/s1
InChIKeyADZMRBMGHFSHDK-MRXNPFEDSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[cyclopropyl(phenyl)methyl]-2-nitrobenzenesulfonamide
CID 55565443
3-bromo-N-[cyclopropyl(phenyl)methyl]-4-methoxybenzenesulfonamide
CID 24679031
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide
CID 97241463
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-[(S)-cyclopropyl(phenyl)methyl]-6-nitropyridine-3-sulfonamide
CID 95342733
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
CID 51886343

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide (CID 30037407) is 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide is O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide?
The InChIKey is ADZMRBMGHFSHDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-7-4-8-15(11-14)21(19,20)18-16(13-9-10-13)12-5-2-1-3-6-12/h1-8,11,13,16,18H,9-10H2/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide?
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30037407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).