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

C12H11NO4S2 — CID 3072133

IUPAC4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1cscc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)11-8-18-7-10(11)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeySKRYGNMPKTVHFS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.27
Rot. Bonds4

About 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid

4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 3072133) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID3072133
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1cscc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)11-8-18-7-10(11)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeySKRYGNMPKTVHFS-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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Related Compounds

2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-, methyl ester
CID 3072130
4-[Methyl(thiophen-2-ylsulfonyl)amino]benzoic acid
CID 6491348
2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-
CID 3072131
3-Thiophenecarboxylic acid, 4-((methylphenylamino)sulfonyl)-, methyl ester
CID 3072132
3-{[Methyl(4-methylphenyl)amino]sulfonyl}-4-phenylthiophene-2-carboxylic acid
CID 15988381
5-[Methyl(naphthalen-2-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 51110766
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methylthiophene-2-carboxylic acid
CID 51115553
5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 56797639
5-[(2,3-Dimethylphenyl)-methylsulfamoyl]thiophene-3-carboxylic acid
CID 56797679
5-[(3,5-Dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid
CID 56797695
5-[(4-Tert-butylphenyl)-methylsulfamoyl]thiophene-3-carboxylic acid
CID 56798234
5-[Methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 56798872

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 3072133) is 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid is CN(c1ccccc1)S(=O)(=O)c1cscc1C(=O)O.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is SKRYGNMPKTVHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)11-8-18-7-10(11)12(14)15/h2-8H,1H3,(H,14,15).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid?
4-[methyl(phenyl)sulfamoyl]thiophene-3-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 4-[methyl(phenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 3072133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).