3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide

C17H18ClNO3S2 — CID 9258901

IUPAC3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S2/c18-14-6-8-15(9-7-14)23-12-11-19-17(20)10-13-24(21,22)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20)
InChIKeyRXJFNDDEQAWHHT-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.41
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide

3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide (PubChem CID 9258901) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
PubChem CID9258901
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC Name3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S2/c18-14-6-8-15(9-7-14)23-12-11-19-17(20)10-13-24(21,22)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20)
InChIKeyRXJFNDDEQAWHHT-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
CID 46584501
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
CID 9302482
3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
CID 100514943
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343359
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 126412818

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide (CID 9258901) is 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The InChIKey is RXJFNDDEQAWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/c18-14-6-8-15(9-7-14)23-12-11-19-17(20)10-13-24(21,22)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide has a molecular weight of 383.92 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 9258901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).