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

C14H14N2O5S — CID 2357265

IUPAC2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyKDCLEXOJWZLARV-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.78
Rot. Bonds5

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

2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2357265) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2357265
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyKDCLEXOJWZLARV-UHFFFAOYSA-N
XLogP1.78
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
3-[(4-Methoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5099598
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
2-[3-(4-Methoxy-phenylsulfamoyl)-4-methyl-benzoylamino]-benzoic acid
CID 1356290
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709
2-{[(4-Aminophenyl)sulfonyl]amino}benzoic acid
CID 235965
3-[(4-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2329148

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid (CID 2357265) is 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is KDCLEXOJWZLARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-10-4-2-9(3-5-10)16-22(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-methoxyphenyl)sulfamoyl]benzoic acid?
2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2357265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).