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

C15H18F3NO4S — CID 58291888

IUPACmethyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3NO4S/c1-23-14(20)10-2-6-12(7-3-10)19-24(21,22)13-8-4-11(5-9-13)15(16,17)18/h4-5,8-10,12,19H,2-3,6-7H2,1H3
InChIKeySAXMUTIGODXSOZ-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.72
Rot. Bonds4

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

methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 58291888) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
PubChem CID58291888
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Namemethyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3NO4S/c1-23-14(20)10-2-6-12(7-3-10)19-24(21,22)13-8-4-11(5-9-13)15(16,17)18/h4-5,8-10,12,19H,2-3,6-7H2,1H3
InChIKeySAXMUTIGODXSOZ-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[4-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
CID 53236928
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide
CID 53238736
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
methyl 4-[[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291840
methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58292157
tert-butyl 3-(trifluoromethyl)-4-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]piperazine-1-carboxylate
CID 53237814
(3R)-3-phenyl-3-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]propanoic acid
CID 58291800
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate (CID 58291888) is methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is SAXMUTIGODXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-23-14(20)10-2-6-12(7-3-10)19-24(21,22)13-8-4-11(5-9-13)15(16,17)18/h4-5,8-10,12,19H,2-3,6-7H2,1H3.
What are the key properties of methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate?
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 365.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 58291888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).