5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid

C12H11NO5S2 — CID 114331354

IUPAC5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)s1
InChIInChI=1S/C12H11NO5S2/c14-9-4-2-1-3-8(9)7-13-20(17,18)11-6-5-10(19-11)12(15)16/h1-6,13-14H,7H2,(H,15,16)
InChIKeyIERBZSPVOXQXDJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.63
Rot. Bonds5

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

5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 114331354) has the molecular formula C12H11NO5S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID114331354
Molecular FormulaC12H11NO5S2
Molecular Weight313.36 g/mol
Exact Mass313.01
IUPAC Name5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)s1
InChIInChI=1S/C12H11NO5S2/c14-9-4-2-1-3-8(9)7-13-20(17,18)11-6-5-10(19-11)12(15)16/h1-6,13-14H,7H2,(H,15,16)
InChIKeyIERBZSPVOXQXDJ-UHFFFAOYSA-N
XLogP1.63
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-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

N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027894
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 114331354) is 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)s1.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is IERBZSPVOXQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S2/c14-9-4-2-1-3-8(9)7-13-20(17,18)11-6-5-10(19-11)12(15)16/h1-6,13-14H,7H2,(H,15,16).
What are the key properties of 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114331354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).