4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

C15H18F3NO4S — CID 120782359

IUPAC4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18F3NO4S/c1-9-8-11(15(16,17)18)4-7-13(9)24(22,23)19-12-5-2-10(3-6-12)14(20)21/h4,7-8,10,12,19H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyPTSWQOFOZZOTHL-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.94
Rot. Bonds4

About 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 120782359) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID120782359
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Name4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18F3NO4S/c1-9-8-11(15(16,17)18)4-7-13(9)24(22,23)19-12-5-2-10(3-6-12)14(20)21/h4,7-8,10,12,19H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyPTSWQOFOZZOTHL-UHFFFAOYSA-N
XLogP2.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
4-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509707
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
N-[1-(4-fluorophenyl)ethyl]-4-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 76743573
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
7-[2-methyl-4-(trifluoromethyl)phenyl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072599
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029595
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509624

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 120782359) is 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is PTSWQOFOZZOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-9-8-11(15(16,17)18)4-7-13(9)24(22,23)19-12-5-2-10(3-6-12)14(20)21/h4,7-8,10,12,19H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 365.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120782359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).