4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C13H13NO5S2 — CID 114331362

IUPAC4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C13H13NO5S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)14-7-9-4-2-3-5-10(9)15/h2-6,14-15H,7H2,1H3,(H,16,17)
InChIKeyLWCLSEGGWREMIX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.94
Rot. Bonds5

About 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 114331362) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID114331362
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Name4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C13H13NO5S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)14-7-9-4-2-3-5-10(9)15/h2-6,14-15H,7H2,1H3,(H,16,17)
InChIKeyLWCLSEGGWREMIX-UHFFFAOYSA-N
XLogP1.94
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 114331362) is 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1O.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is LWCLSEGGWREMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)14-7-9-4-2-3-5-10(9)15/h2-6,14-15H,7H2,1H3,(H,16,17).
What are the key properties of 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114331362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).