3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide

C16H17ClN2O3S — CID 133255245

IUPAC3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15(12-7-9-13(17)10-8-12)11-16(20)18-14-5-3-2-4-6-14/h2-10,15,19H,11H2,1H3,(H,18,20)
InChIKeyAFYIBBNEBMEOJV-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.96
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide (PubChem CID 133255245) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
PubChem CID133255245
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15(12-7-9-13(17)10-8-12)11-16(20)18-14-5-3-2-4-6-14/h2-10,15,19H,11H2,1H3,(H,18,20)
InChIKeyAFYIBBNEBMEOJV-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
CID 133255321
ethyl 2-[4-[[(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanoyl]amino]phenyl]acetate
CID 100783481
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 133255349
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide (CID 133255245) is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide is CS(=O)(=O)NC(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide?
The InChIKey is AFYIBBNEBMEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-23(21,22)19-15(12-7-9-13(17)10-8-12)11-16(20)18-14-5-3-2-4-6-14/h2-10,15,19H,11H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide?
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide has a molecular weight of 352.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide is sourced from PubChem (CID 133255245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).