4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid

C14H11ClN2O6S — CID 100820484

IUPAC4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C14H11ClN2O6S/c15-11-6-3-9(14(20)21)7-12(11)24(22,23)17-16-13(19)8-1-4-10(18)5-2-8/h1-7,17-18H,(H,16,19)(H,20,21)
InChIKeyLEFSIEHKNZNPJM-UHFFFAOYSA-N
MW370.77 g/mol
LogP1.37
Rot. Bonds5

About 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid

4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid (PubChem CID 100820484) has the molecular formula C14H11ClN2O6S and a molecular weight of 370.77 g/mol. Its IUPAC name is 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid
PubChem CID100820484
Molecular FormulaC14H11ClN2O6S
Molecular Weight370.77 g/mol
Exact Mass370.00
IUPAC Name4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C14H11ClN2O6S/c15-11-6-3-9(14(20)21)7-12(11)24(22,23)17-16-13(19)8-1-4-10(18)5-2-8/h1-7,17-18H,(H,16,19)(H,20,21)
InChIKeyLEFSIEHKNZNPJM-UHFFFAOYSA-N
XLogP1.37
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide
CID 100820121
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
CID 2100657
4-chloro-3-[(1-oxothian-4-yl)sulfamoyl]benzoic acid
CID 104655249
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
CID 10276840
4-chloro-3-(2,2,2-trifluoroethoxysulfamoyl)benzoic acid
CID 82706951
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid (CID 100820484) is 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid?
The InChIKey is LEFSIEHKNZNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O6S/c15-11-6-3-9(14(20)21)7-12(11)24(22,23)17-16-13(19)8-1-4-10(18)5-2-8/h1-7,17-18H,(H,16,19)(H,20,21).
What are the key properties of 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid?
4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid has a molecular weight of 370.77 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid is sourced from PubChem (CID 100820484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).