3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H11NO4S2 — CID 3072131

IUPAC3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyQKNGXYXWCKMHSO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.27
Rot. Bonds4

About 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 3072131) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID3072131
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyQKNGXYXWCKMHSO-UHFFFAOYSA-N
XLogP2.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 3072131) is 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid is CN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QKNGXYXWCKMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h2-8H,1H3,(H,14,15).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 3072131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).