2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide

C16H16ClNO3S2 — CID 2819429

IUPAC2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C16H16ClNO3S2/c17-13-6-8-15(9-7-13)23(20,21)11-10-22-12-16(19)18-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyVASYPRORJRMMDC-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.49
Rot. Bonds7

About 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide

2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide (PubChem CID 2819429) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide
PubChem CID2819429
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C16H16ClNO3S2/c17-13-6-8-15(9-7-13)23(20,21)11-10-22-12-16(19)18-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyVASYPRORJRMMDC-UHFFFAOYSA-N
XLogP3.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.49
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

N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
2-chloro-N-(2-((4-chlorophenyl)sulfanyl)phenyl)acetamide
CID 2384590
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
3-[(4-bromophenyl)sulfonyl]-N-(2-chlorophenyl)propanamide
CID 4109101
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
N,N'-[(2-oxopropane-1,3-diyl)bis(sulfonylbenzene-4,1-diyl)]diacetamide
CID 330272
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
(E)-2,3-dichloro-N-(2-chlorophenyl)-3-(phenylsulfinyl)-2-propenamide
CID 1473969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide (CID 2819429) is 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide is O=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide?
The InChIKey is VASYPRORJRMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c17-13-6-8-15(9-7-13)23(20,21)11-10-22-12-16(19)18-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide?
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide has a molecular weight of 369.90 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2819429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).