4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

C14H9ClF3NO4S — CID 25335042

IUPAC4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO4S/c15-9-3-6-12(11(7-9)14(16,17)18)24(22,23)19-10-4-1-8(2-5-10)13(20)21/h1-7,19H,(H,20,21)
InChIKeyRIUPGPXBFBRQMN-UHFFFAOYSA-N
MW379.74 g/mol
LogP3.86
Rot. Bonds4

About 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 25335042) has the molecular formula C14H9ClF3NO4S and a molecular weight of 379.74 g/mol. Its IUPAC name is 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
PubChem CID25335042
Molecular FormulaC14H9ClF3NO4S
Molecular Weight379.74 g/mol
Exact Mass378.99
IUPAC Name4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO4S/c15-9-3-6-12(11(7-9)14(16,17)18)24(22,23)19-10-4-1-8(2-5-10)13(20)21/h1-7,19H,(H,20,21)
InChIKeyRIUPGPXBFBRQMN-UHFFFAOYSA-N
XLogP3.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.74
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 24663149
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (CID 25335042) is 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is RIUPGPXBFBRQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO4S/c15-9-3-6-12(11(7-9)14(16,17)18)24(22,23)19-10-4-1-8(2-5-10)13(20)21/h1-7,19H,(H,20,21).
What are the key properties of 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 379.74 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 25335042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).