5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide

C12H11ClN2O3S2 — CID 4802431

IUPAC5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClN2O3S2/c1-14-20(17,18)9-4-2-8(3-5-9)15-12(16)10-6-7-11(13)19-10/h2-7,14H,1H3,(H,15,16)
InChIKeyBPSHAEXCHQHEDS-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.56
Rot. Bonds4

About 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide

5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 4802431) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID4802431
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClN2O3S2/c1-14-20(17,18)9-4-2-8(3-5-9)15-12(16)10-6-7-11(13)19-10/h2-7,14H,1H3,(H,15,16)
InChIKeyBPSHAEXCHQHEDS-UHFFFAOYSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9219442
5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9343844
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[4-(methylsulfamoyl)phenyl]-1,2-thiazole-4-carboxamide
CID 141468396
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
CID 82884384
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 4802431) is 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is BPSHAEXCHQHEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-14-20(17,18)9-4-2-8(3-5-9)15-12(16)10-6-7-11(13)19-10/h2-7,14H,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide?
5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4802431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).