4-amino-2-(phenylsulfamoyl)benzoic acid

C13H12N2O4S — CID 102930725

IUPAC4-amino-2-(phenylsulfamoyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H12N2O4S/c14-9-6-7-11(13(16)17)12(8-9)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,14H2,(H,16,17)
InChIKeyMFVYCIBAKMMMRZ-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-2-(phenylsulfamoyl)benzoic acid

4-amino-2-(phenylsulfamoyl)benzoic acid (PubChem CID 102930725) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-amino-2-(phenylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(phenylsulfamoyl)benzoic acid
PubChem CID102930725
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name4-amino-2-(phenylsulfamoyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H12N2O4S/c14-9-6-7-11(13(16)17)12(8-9)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,14H2,(H,16,17)
InChIKeyMFVYCIBAKMMMRZ-UHFFFAOYSA-N
XLogP1.77
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.77
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

4-amino-2-[(4-iodophenyl)sulfamoyl]benzoic acid
CID 102930866
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
CID 102931334
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
4-amino-2-[2-(dimethylamino)propylsulfamoyl]benzoic acid
CID 102931085
4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 102931325
4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 102931714
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917
4-amino-2-(3-methylsulfinylpropylsulfamoyl)benzoic acid
CID 102931661
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(phenylsulfamoyl)benzoic acid?
The IUPAC name of 4-amino-2-(phenylsulfamoyl)benzoic acid (CID 102930725) is 4-amino-2-(phenylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(phenylsulfamoyl)benzoic acid?
The canonical SMILES for 4-amino-2-(phenylsulfamoyl)benzoic acid is Nc1ccc(C(=O)O)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-amino-2-(phenylsulfamoyl)benzoic acid?
The InChIKey is MFVYCIBAKMMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-9-6-7-11(13(16)17)12(8-9)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,14H2,(H,16,17).
What are the key properties of 4-amino-2-(phenylsulfamoyl)benzoic acid?
4-amino-2-(phenylsulfamoyl)benzoic acid has a molecular weight of 292.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(phenylsulfamoyl)benzoic acid is sourced from PubChem (CID 102930725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).