cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate

C20H21F3N2O6S — CID 71724734

IUPACcyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate
SMILESCOc1ccc(OC(F)(F)F)cc1S(=O)(=O)Nc1cncc(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C20H21F3N2O6S/c1-29-17-8-7-16(31-20(21,22)23)10-18(17)32(27,28)25-14-9-13(11-24-12-14)19(26)30-15-5-3-2-4-6-15/h7-12,15,25H,2-6H2,1H3
InChIKeyFUHQIJAZPMLYCX-UHFFFAOYSA-N
MW474.46 g/mol
LogP4.28
Rot. Bonds7

About cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate

cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate (PubChem CID 71724734) has the molecular formula C20H21F3N2O6S and a molecular weight of 474.46 g/mol. Its IUPAC name is cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate
PubChem CID71724734
Molecular FormulaC20H21F3N2O6S
Molecular Weight474.46 g/mol
Exact Mass474.11
IUPAC Namecyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate
SMILESCOc1ccc(OC(F)(F)F)cc1S(=O)(=O)Nc1cncc(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C20H21F3N2O6S/c1-29-17-8-7-16(31-20(21,22)23)10-18(17)32(27,28)25-14-9-13(11-24-12-14)19(26)30-15-5-3-2-4-6-15/h7-12,15,25H,2-6H2,1H3
InChIKeyFUHQIJAZPMLYCX-UHFFFAOYSA-N
XLogP4.28
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexyl 5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 149427386
[4-[4-[(5-carbamoyl-3-pyridinyl)sulfamoyl]-2-chloro-5-(trifluoromethoxy)phenyl]phenyl] 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate
CID 162614172
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 56684295
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
N-cyclohexyl-4-methoxy-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684157
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010132
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
methyl 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 148788780
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate?
The IUPAC name of cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate (CID 71724734) is cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate.
What is the SMILES notation for cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate?
The canonical SMILES for cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate is COc1ccc(OC(F)(F)F)cc1S(=O)(=O)Nc1cncc(C(=O)OC2CCCCC2)c1.
What is the InChIKey of cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate?
The InChIKey is FUHQIJAZPMLYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O6S/c1-29-17-8-7-16(31-20(21,22)23)10-18(17)32(27,28)25-14-9-13(11-24-12-14)19(26)30-15-5-3-2-4-6-15/h7-12,15,25H,2-6H2,1H3.
What are the key properties of cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate?
cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate has a molecular weight of 474.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 71724734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).