2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide

C16H16N2O4S3 — CID 75449014

IUPAC2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(C)sc2ccccc12
InChIInChI=1S/C16H16N2O4S3/c1-11-16(12-7-3-5-9-14(12)23-11)25(21,22)18-13-8-4-6-10-15(13)24(19,20)17-2/h3-10,17-18H,1-2H3
InChIKeyMHYTYQARTHMIKV-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide

2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide (PubChem CID 75449014) has the molecular formula C16H16N2O4S3 and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide
PubChem CID75449014
Molecular FormulaC16H16N2O4S3
Molecular Weight396.52 g/mol
Exact Mass396.03
IUPAC Name2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(C)sc2ccccc12
InChIInChI=1S/C16H16N2O4S3/c1-11-16(12-7-3-5-9-14(12)23-11)25(21,22)18-13-8-4-6-10-15(13)24(19,20)17-2/h3-10,17-18H,1-2H3
InChIKeyMHYTYQARTHMIKV-UHFFFAOYSA-N
XLogP2.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide (CID 75449014) is 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide is CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(C)sc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide?
The InChIKey is MHYTYQARTHMIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S3/c1-11-16(12-7-3-5-9-14(12)23-11)25(21,22)18-13-8-4-6-10-15(13)24(19,20)17-2/h3-10,17-18H,1-2H3.
What are the key properties of 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide?
2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide has a molecular weight of 396.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylsulfamoyl)phenyl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 75449014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).