4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid

C10H11F3N2O4S — CID 62711833

IUPAC4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)CCNc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)8-5-6(1-2-7(8)9(16)17)15-3-4-20(14,18)19/h1-2,5,15H,3-4H2,(H,16,17)(H2,14,18,19)
InChIKeyFDOQBLPYACRWOD-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.10
Rot. Bonds5

About 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid

4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid (PubChem CID 62711833) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid
PubChem CID62711833
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)CCNc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)8-5-6(1-2-7(8)9(16)17)15-3-4-20(14,18)19/h1-2,5,15H,3-4H2,(H,16,17)(H2,14,18,19)
InChIKeyFDOQBLPYACRWOD-UHFFFAOYSA-N
XLogP1.10
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)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-(2,2,2-trifluoroethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709766
4-(2-methylsulfanylethylamino)-2-(trifluoromethyl)benzoic acid
CID 63962749
2-[4-nitro-3-(trifluoromethyl)anilino]ethanesulfonamide
CID 43552389
4-(3-methylsulfanylpropylamino)-2-(trifluoromethyl)benzoic acid
CID 63963605
4-(2-bromoprop-2-enylamino)-2-(trifluoromethyl)benzoic acid
CID 113465202
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-(trifluoromethyl)benzoic acid
CID 62711723
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
4-(pyridin-4-ylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62710278
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
4-(2-thiophen-3-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711532
4-[2-(furan-2-yl)ethylamino]-2-(trifluoromethyl)benzoic acid
CID 62709632

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid (CID 62711833) is 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid is NS(=O)(=O)CCNc1ccc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid?
The InChIKey is FDOQBLPYACRWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c11-10(12,13)8-5-6(1-2-7(8)9(16)17)15-3-4-20(14,18)19/h1-2,5,15H,3-4H2,(H,16,17)(H2,14,18,19).
What are the key properties of 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid?
4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid has a molecular weight of 312.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62711833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).