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

C14H14N2O4S — CID 14113757

IUPAC4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyREUYMWDSOXVWQX-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.08
Rot. Bonds4

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

4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 14113757) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
PubChem CID14113757
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyREUYMWDSOXVWQX-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

5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
4-[(2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 50876036
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
3-[[4-(cyanomethyl)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 37263775
4-amino-2-[(4-iodophenyl)sulfamoyl]benzoic acid
CID 102930866
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid (CID 14113757) is 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid is Cc1ccc(N)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is REUYMWDSOXVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18).
What are the key properties of 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid?
4-[(5-amino-2-methylphenyl)sulfonylamino]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 4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 14113757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).