4-(benzylsulfamoyl)-2-carboxyphenolate

C14H12NO5S- — CID 54712789

IUPAC4-(benzylsulfamoyl)-2-carboxyphenolate
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-]
InChIInChI=1S/C14H13NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2,(H,17,18)/p-1
InChIKeyJIVAENNOJFLNHO-UHFFFAOYSA-M
MW306.32 g/mol
LogP0.94
Rot. Bonds5

About 4-(benzylsulfamoyl)-2-carboxyphenolate

4-(benzylsulfamoyl)-2-carboxyphenolate (PubChem CID 54712789) has the molecular formula C14H12NO5S- and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-2-carboxyphenolate.

Molecular Properties

Compound Name4-(benzylsulfamoyl)-2-carboxyphenolate
PubChem CID54712789
Molecular FormulaC14H12NO5S-
Molecular Weight306.32 g/mol
Exact Mass306.04
IUPAC Name4-(benzylsulfamoyl)-2-carboxyphenolate
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-]
InChIInChI=1S/C14H13NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2,(H,17,18)/p-1
InChIKeyJIVAENNOJFLNHO-UHFFFAOYSA-M
XLogP0.94
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(benzylsulfamoyl)-2-carboxyphenolate 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

4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
2-iodo-5-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 103962241
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983555
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
4-(benzylsulfamoyl)benzoate
CID 4743721
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99984297

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)-2-carboxyphenolate?
The IUPAC name of 4-(benzylsulfamoyl)-2-carboxyphenolate (CID 54712789) is 4-(benzylsulfamoyl)-2-carboxyphenolate.
What is the SMILES notation for 4-(benzylsulfamoyl)-2-carboxyphenolate?
The canonical SMILES for 4-(benzylsulfamoyl)-2-carboxyphenolate is O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-].
What is the InChIKey of 4-(benzylsulfamoyl)-2-carboxyphenolate?
The InChIKey is JIVAENNOJFLNHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2,(H,17,18)/p-1.
What are the key properties of 4-(benzylsulfamoyl)-2-carboxyphenolate?
4-(benzylsulfamoyl)-2-carboxyphenolate has a molecular weight of 306.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)-2-carboxyphenolate is sourced from PubChem (CID 54712789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).