3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

C17H19ClN2O3S — CID 3532332

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-13-11-17(21)19-12-10-14-4-2-1-3-5-14/h1-9,20H,10-13H2,(H,19,21)
InChIKeyWESPHIMZJHTOIG-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.37
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 3532332) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID3532332
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-13-11-17(21)19-12-10-14-4-2-1-3-5-14/h1-9,20H,10-13H2,(H,19,21)
InChIKeyWESPHIMZJHTOIG-UHFFFAOYSA-N
XLogP2.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
2-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}-N-(2-phenylethyl)acetamide
CID 2243237
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 4791283
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11069884
6-Benzyl-4-(4-chlorobenzenesulfonyl)-1,4-diazepan-2,5-dione
CID 44439950
6-(4-Chlorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-diazepane-2,5-dione
CID 44439956
6-(3-Chlorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-diazepane-2,5-dione
CID 44439957
6-(2-Chlorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-diazepane-2,5-dione
CID 44439958
6-(2-Fluorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-diazepane-2,5-dione
CID 44439959
N-benzyl-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444017

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (CID 3532332) is 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is WESPHIMZJHTOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-13-11-17(21)19-12-10-14-4-2-1-3-5-14/h1-9,20H,10-13H2,(H,19,21).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3532332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).