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

C15H18F3NO4S — CID 69283923

IUPAC4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCN(C1CCC(C(=O)O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO4S/c1-19(12-6-2-10(3-7-12)14(20)21)24(22,23)13-8-4-11(5-9-13)15(16,17)18/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyOGZAXBFTDBEQAU-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.97
Rot. Bonds4

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

4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 69283923) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID69283923
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Name4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCN(C1CCC(C(=O)O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO4S/c1-19(12-6-2-10(3-7-12)14(20)21)24(22,23)13-8-4-11(5-9-13)15(16,17)18/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyOGZAXBFTDBEQAU-UHFFFAOYSA-N
XLogP2.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 69283923) is 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is CN(C1CCC(C(=O)O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OGZAXBFTDBEQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-19(12-6-2-10(3-7-12)14(20)21)24(22,23)13-8-4-11(5-9-13)15(16,17)18/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,20,21).
What are the key properties of 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 365.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69283923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).