5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide

C13H15ClN2O4S3 — CID 4657890

IUPAC5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H15ClN2O4S3/c1-9-4-5-10(8-11(9)23(19,20)16(2)3)15-22(17,18)13-7-6-12(14)21-13/h4-8,15H,1-3H3
InChIKeyWSSVZJMSFREXGR-UHFFFAOYSA-N
MW394.93 g/mol
LogP2.76
Rot. Bonds5

About 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide (PubChem CID 4657890) has the molecular formula C13H15ClN2O4S3 and a molecular weight of 394.93 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
PubChem CID4657890
Molecular FormulaC13H15ClN2O4S3
Molecular Weight394.93 g/mol
Exact Mass393.99
IUPAC Name5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H15ClN2O4S3/c1-9-4-5-10(8-11(9)23(19,20)16(2)3)15-22(17,18)13-7-6-12(14)21-13/h4-8,15H,1-3H3
InChIKeyWSSVZJMSFREXGR-UHFFFAOYSA-N
XLogP2.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide (CID 4657890) is 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is WSSVZJMSFREXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S3/c1-9-4-5-10(8-11(9)23(19,20)16(2)3)15-22(17,18)13-7-6-12(14)21-13/h4-8,15H,1-3H3.
What are the key properties of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 394.93 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4657890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).