2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide

C17H18ClNO3S — CID 78761153

IUPAC2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO3S/c1-12(14-6-4-3-5-7-14)19-17(20)13(2)23(21,22)16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)
InChIKeyBRGKDCNSMSBSII-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide

2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide (PubChem CID 78761153) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide
PubChem CID78761153
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO3S/c1-12(14-6-4-3-5-7-14)19-17(20)13(2)23(21,22)16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)
InChIKeyBRGKDCNSMSBSII-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 46741650
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
CID 62916858
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 92645898
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823143
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide (CID 78761153) is 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide?
The InChIKey is BRGKDCNSMSBSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12(14-6-4-3-5-7-14)19-17(20)13(2)23(21,22)16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide?
2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide has a molecular weight of 351.86 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 78761153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).