4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide

C16H14ClNO4S2 — CID 4628212

IUPAC4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
SMILESO=S1(=O)C=CC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14ClNO4S2/c17-13-6-8-16(9-7-13)24(21,22)18(14-4-2-1-3-5-14)15-10-11-23(19,20)12-15/h1-11,15H,12H2
InChIKeyVIQUOVWGDSKBFI-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide

4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide (PubChem CID 4628212) has the molecular formula C16H14ClNO4S2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
PubChem CID4628212
Molecular FormulaC16H14ClNO4S2
Molecular Weight383.88 g/mol
Exact Mass383.01
IUPAC Name4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
SMILESO=S1(=O)C=CC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14ClNO4S2/c17-13-6-8-16(9-7-13)24(21,22)18(14-4-2-1-3-5-14)15-10-11-23(19,20)12-15/h1-11,15H,12H2
InChIKeyVIQUOVWGDSKBFI-UHFFFAOYSA-N
XLogP2.85
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzenesulfonamide
CID 18866905
5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide
CID 129400571
4-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 40817585
4-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 40817586
N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
CID 27307815
N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide
CID 21237300
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 21206461
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylnitrous amide
CID 7360469
N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide
CID 143420402
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41061129
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylacetamide
CID 8636018
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide
CID 43954658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide (CID 4628212) is 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide is O=S1(=O)C=CC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide?
The InChIKey is VIQUOVWGDSKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S2/c17-13-6-8-16(9-7-13)24(21,22)18(14-4-2-1-3-5-14)15-10-11-23(19,20)12-15/h1-11,15H,12H2.
What are the key properties of 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide?
4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide has a molecular weight of 383.88 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 4628212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).