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

C14H14N2O4S — CID 134108932

IUPAC2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H14N2O4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyCQUJOFZTBUSRTM-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.08
Rot. Bonds4

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

2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 134108932) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
PubChem CID134108932
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H14N2O4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyCQUJOFZTBUSRTM-UHFFFAOYSA-N
XLogP2.08
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
CID 30053987
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid (CID 134108932) is 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is CQUJOFZTBUSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid?
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 134108932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).