N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide

C13H15F3N2O3S — CID 154782226

IUPACN-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)10-3-5-11(6-4-10)22(20,21)18-12(19)9-2-1-7-17-8-9/h1-2,7-8,10-11H,3-6H2,(H,18,19)
InChIKeyHDHOQYVMWLGFCX-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.26
Rot. Bonds3

About N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide

N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide (PubChem CID 154782226) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide
PubChem CID154782226
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)10-3-5-11(6-4-10)22(20,21)18-12(19)9-2-1-7-17-8-9/h1-2,7-8,10-11H,3-6H2,(H,18,19)
InChIKeyHDHOQYVMWLGFCX-UHFFFAOYSA-N
XLogP2.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53483031
N-cyclopentylpyridine-3-carboxamide
CID 805532
pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105081172
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-[[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]carbamothioyl]pyridine-3-carboxamide
CID 11510152
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide (CID 154782226) is N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide is O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)c1cccnc1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide?
The InChIKey is HDHOQYVMWLGFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)10-3-5-11(6-4-10)22(20,21)18-12(19)9-2-1-7-17-8-9/h1-2,7-8,10-11H,3-6H2,(H,18,19).
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide?
N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 154782226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).