N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide

C17H15Cl2NO4S2 — CID 21237300

IUPACN-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccc(Cl)c2Cl)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C17H15Cl2NO4S2/c1-12-5-7-14(8-6-12)26(23,24)20(13-9-10-25(21,22)11-13)16-4-2-3-15(18)17(16)19/h2-10,13H,11H2,1H3
InChIKeyIPSYBJYZBRRPMU-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.81
Rot. Bonds4

About N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide

N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide (PubChem CID 21237300) has the molecular formula C17H15Cl2NO4S2 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide
PubChem CID21237300
Molecular FormulaC17H15Cl2NO4S2
Molecular Weight432.35 g/mol
Exact Mass430.98
IUPAC NameN-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccc(Cl)c2Cl)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C17H15Cl2NO4S2/c1-12-5-7-14(8-6-12)26(23,24)20(13-9-10-25(21,22)11-13)16-4-2-3-15(18)17(16)19/h2-10,13H,11H2,1H3
InChIKeyIPSYBJYZBRRPMU-UHFFFAOYSA-N
XLogP3.81
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.81
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
N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
CID 27307815
4-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzenesulfonamide
CID 18866905
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
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 3152086
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 21206442
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2228989
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide (CID 21237300) is N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cccc(Cl)c2Cl)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is IPSYBJYZBRRPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4S2/c1-12-5-7-14(8-6-12)26(23,24)20(13-9-10-25(21,22)11-13)16-4-2-3-15(18)17(16)19/h2-10,13H,11H2,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide?
N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 432.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 21237300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).