4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid

C15H11F3N2O5S — CID 155949885

IUPAC4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3N2O5S/c16-15(17,18)11-5-1-9(2-6-11)13(21)19-20-26(24,25)12-7-3-10(4-8-12)14(22)23/h1-8,20H,(H,19,21)(H,22,23)
InChIKeyABBLXOSWLFINAP-UHFFFAOYSA-N
MW388.32 g/mol
LogP2.03
Rot. Bonds5

About 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid

4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid (PubChem CID 155949885) has the molecular formula C15H11F3N2O5S and a molecular weight of 388.32 g/mol. Its IUPAC name is 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
PubChem CID155949885
Molecular FormulaC15H11F3N2O5S
Molecular Weight388.32 g/mol
Exact Mass388.03
IUPAC Name4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3N2O5S/c16-15(17,18)11-5-1-9(2-6-11)13(21)19-20-26(24,25)12-7-3-10(4-8-12)14(22)23/h1-8,20H,(H,19,21)(H,22,23)
InChIKeyABBLXOSWLFINAP-UHFFFAOYSA-N
XLogP2.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[[4-(trifluoromethyl)benzoyl]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

N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
4-[[(4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzoic acid
CID 45477229
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26969476
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
CID 171983464
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
CID 18184877
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
CID 20705865

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid (CID 155949885) is 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid?
The InChIKey is ABBLXOSWLFINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O5S/c16-15(17,18)11-5-1-9(2-6-11)13(21)19-20-26(24,25)12-7-3-10(4-8-12)14(22)23/h1-8,20H,(H,19,21)(H,22,23).
What are the key properties of 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid?
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid has a molecular weight of 388.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid is sourced from PubChem (CID 155949885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).