5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide

C17H16ClNO4S2 — CID 129400571

IUPAC5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H16ClNO4S2/c1-13-7-8-14(18)11-17(13)25(22,23)19(15-5-3-2-4-6-15)16-9-10-24(20,21)12-16/h2-11,16H,12H2,1H3/t16-/m0/s1
InChIKeyZOKKYMCMJVJBSG-INIZCTEOSA-N
MW397.91 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide

5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide (PubChem CID 129400571) has the molecular formula C17H16ClNO4S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide
PubChem CID129400571
Molecular FormulaC17H16ClNO4S2
Molecular Weight397.91 g/mol
Exact Mass397.02
IUPAC Name5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H16ClNO4S2/c1-13-7-8-14(18)11-17(13)25(22,23)19(15-5-3-2-4-6-15)16-9-10-24(20,21)12-16/h2-11,16H,12H2,1H3/t16-/m0/s1
InChIKeyZOKKYMCMJVJBSG-INIZCTEOSA-N
XLogP3.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
CID 4628212
4-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzenesulfonamide
CID 18866905
N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
CID 27307815
4-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 40817585
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methylbenzamide
CID 40505440
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylnitrous amide
CID 7360469
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
CID 2981379
N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide
CID 21237300
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide (CID 129400571) is 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is ZOKKYMCMJVJBSG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClNO4S2/c1-13-7-8-14(18)11-17(13)25(22,23)19(15-5-3-2-4-6-15)16-9-10-24(20,21)12-16/h2-11,16H,12H2,1H3/t16-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide?
5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 397.91 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 129400571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).