3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide

C17H19ClN2O3S2 — CID 27887926

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCSc1ccccc1
InChIInChI=1S/C17H19ClN2O3S2/c18-14-5-4-8-16(13-14)25(22,23)20-10-9-17(21)19-11-12-24-15-6-2-1-3-7-15/h1-8,13,20H,9-12H2,(H,19,21)
InChIKeyKZFCSLAMKDEMJW-UHFFFAOYSA-N
MW398.94 g/mol
LogP2.92
Rot. Bonds9

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

3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 27887926) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
PubChem CID27887926
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCSc1ccccc1
InChIInChI=1S/C17H19ClN2O3S2/c18-14-5-4-8-16(13-14)25(22,23)20-10-9-17(21)19-11-12-24-15-6-2-1-3-7-15/h1-8,13,20H,9-12H2,(H,19,21)
InChIKeyKZFCSLAMKDEMJW-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33000051
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55724392

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide (CID 27887926) is 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCSc1ccccc1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is KZFCSLAMKDEMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c18-14-5-4-8-16(13-14)25(22,23)20-10-9-17(21)19-11-12-24-15-6-2-1-3-7-15/h1-8,13,20H,9-12H2,(H,19,21).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 398.94 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 27887926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).