2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid

C14H13NO5S — CID 2133740

IUPAC2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO5S/c1-9-2-4-10(5-3-9)15-21(19,20)11-6-7-13(16)12(8-11)14(17)18/h2-8,15-16H,1H3,(H,17,18)
InChIKeyVRDPYHDVZAMINE-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.20
Rot. Bonds4

About 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid

2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 2133740) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
PubChem CID2133740
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO5S/c1-9-2-4-10(5-3-9)15-21(19,20)11-6-7-13(16)12(8-11)14(17)18/h2-8,15-16H,1H3,(H,17,18)
InChIKeyVRDPYHDVZAMINE-UHFFFAOYSA-N
XLogP2.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 118202362
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-hydroxy-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 5035463
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid (CID 2133740) is 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is VRDPYHDVZAMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-9-2-4-10(5-3-9)15-21(19,20)11-6-7-13(16)12(8-11)14(17)18/h2-8,15-16H,1H3,(H,17,18).
What are the key properties of 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2133740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).