4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid

C14H17F3N2O4S — CID 122060090

IUPAC4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC2CCC(C(=O)O)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c15-14(16,17)11-7-10(24(18,22)23)5-6-12(11)19-9-3-1-8(2-4-9)13(20)21/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)
InChIKeyYXQAZLFSSQTJST-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.41
Rot. Bonds4

About 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid

4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid (PubChem CID 122060090) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
PubChem CID122060090
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC2CCC(C(=O)O)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c15-14(16,17)11-7-10(24(18,22)23)5-6-12(11)19-9-3-1-8(2-4-9)13(20)21/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)
InChIKeyYXQAZLFSSQTJST-UHFFFAOYSA-N
XLogP2.41
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079192
4-[(1-methylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 67170062
tert-butyl 4-[4-sulfamoyl-2-(trifluoromethylsulfonyl)anilino]piperidine-1-carboxylate
CID 67225879
4-(2-bromo-4-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 82797963
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122059880
4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029595
N-cyclopentyl-4-nitro-2-(trifluoromethyl)aniline
CID 54935524
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 68756811
4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide
CID 67530049
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205
2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid
CID 138002921

Frequently Asked Questions

What is the IUPAC name of 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid (CID 122060090) is 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid is NS(=O)(=O)c1ccc(NC2CCC(C(=O)O)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
The InChIKey is YXQAZLFSSQTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c15-14(16,17)11-7-10(24(18,22)23)5-6-12(11)19-9-3-1-8(2-4-9)13(20)21/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23).
What are the key properties of 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid?
4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid has a molecular weight of 366.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).