3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide

C17H18ClNO3S — CID 32816816

IUPAC3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3S/c18-15-6-4-5-14(13-15)9-11-19-17(20)10-12-23(21,22)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,20)
InChIKeyVESSZKINNOURSL-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.86
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide (PubChem CID 32816816) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
PubChem CID32816816
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3S/c18-15-6-4-5-14(13-15)9-11-19-17(20)10-12-23(21,22)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,20)
InChIKeyVESSZKINNOURSL-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
CID 4139316
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2405340

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide (CID 32816816) is 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is VESSZKINNOURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-15-6-4-5-14(13-15)9-11-19-17(20)10-12-23(21,22)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 351.86 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 32816816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).