2-(methylamino)-5-(phenylsulfamoyl)benzoic acid

C14H14N2O4S — CID 99988698

IUPAC2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
SMILESCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-15-13-8-7-11(9-12(13)14(17)18)21(19,20)16-10-5-3-2-4-6-10/h2-9,15-16H,1H3,(H,17,18)
InChIKeyXGMDOXAUURDHSG-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.23
Rot. Bonds5

About 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid

2-(methylamino)-5-(phenylsulfamoyl)benzoic acid (PubChem CID 99988698) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
PubChem CID99988698
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
SMILESCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-15-13-8-7-11(9-12(13)14(17)18)21(19,20)16-10-5-3-2-4-6-10/h2-9,15-16H,1H3,(H,17,18)
InChIKeyXGMDOXAUURDHSG-UHFFFAOYSA-N
XLogP2.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylethylamino)-5-(phenylsulfamoyl)benzoic acid
CID 133144406
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
5-amino-2-(methylamino)benzoic acid
CID 19006283
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid?
The IUPAC name of 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid (CID 99988698) is 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid is CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid?
The InChIKey is XGMDOXAUURDHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-15-13-8-7-11(9-12(13)14(17)18)21(19,20)16-10-5-3-2-4-6-10/h2-9,15-16H,1H3,(H,17,18).
What are the key properties of 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid?
2-(methylamino)-5-(phenylsulfamoyl)benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-(phenylsulfamoyl)benzoic acid is sourced from PubChem (CID 99988698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).