3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide

C18H20ClNO3S2 — CID 46584501

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCCSc1ccccc1
InChIInChI=1S/C18H20ClNO3S2/c19-15-7-9-17(10-8-15)25(22,23)14-11-18(21)20-12-4-13-24-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,20,21)
InChIKeyDFWAKQSGVZALGF-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.80
Rot. Bonds9

About 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 46584501) has the molecular formula C18H20ClNO3S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID46584501
Molecular FormulaC18H20ClNO3S2
Molecular Weight397.95 g/mol
Exact Mass397.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCCSc1ccccc1
InChIInChI=1S/C18H20ClNO3S2/c19-15-7-9-17(10-8-15)25(22,23)14-11-18(21)20-12-4-13-24-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,20,21)
InChIKeyDFWAKQSGVZALGF-UHFFFAOYSA-N
XLogP3.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.80
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-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
CID 9302482
3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30222610

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide (CID 46584501) is 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCCSc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is DFWAKQSGVZALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S2/c19-15-7-9-17(10-8-15)25(22,23)14-11-18(21)20-12-4-13-24-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 397.95 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 46584501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).