3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide

C13H12ClNO4S2 — CID 19434004

IUPAC3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2sc(Cl)cc2C(C)=O)cc1
InChIInChI=1S/C13H12ClNO4S2/c1-8(16)11-7-12(14)20-13(11)21(17,18)15-9-3-5-10(19-2)6-4-9/h3-7,15H,1-2H3
InChIKeyGHXVQXIQMSCRLZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.41
Rot. Bonds5

About 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide

3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 19434004) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID19434004
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2sc(Cl)cc2C(C)=O)cc1
InChIInChI=1S/C13H12ClNO4S2/c1-8(16)11-7-12(14)20-13(11)21(17,18)15-9-3-5-10(19-2)6-4-9/h3-7,15H,1-2H3
InChIKeyGHXVQXIQMSCRLZ-UHFFFAOYSA-N
XLogP3.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide (CID 19434004) is 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2sc(Cl)cc2C(C)=O)cc1.
What is the InChIKey of 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is GHXVQXIQMSCRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-8(16)11-7-12(14)20-13(11)21(17,18)15-9-3-5-10(19-2)6-4-9/h3-7,15H,1-2H3.
What are the key properties of 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide?
3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 345.83 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 19434004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).