6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide

C12H14F3N3O2S — CID 126813970

IUPAC6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
SMILESCCC(CC)(NS(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F
InChIInChI=1S/C12H14F3N3O2S/c1-3-11(4-2,12(13,14)15)18-21(19,20)10-6-5-9(7-16)17-8-10/h5-6,8,18H,3-4H2,1-2H3
InChIKeyYJCGDBGRVHRXAW-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.35
Rot. Bonds5

About 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide

6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide (PubChem CID 126813970) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
PubChem CID126813970
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC Name6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
SMILESCCC(CC)(NS(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F
InChIInChI=1S/C12H14F3N3O2S/c1-3-11(4-2,12(13,14)15)18-21(19,20)10-6-5-9(7-16)17-8-10/h5-6,8,18H,3-4H2,1-2H3
InChIKeyYJCGDBGRVHRXAW-UHFFFAOYSA-N
XLogP2.35
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
CID 115752426
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide (CID 126813970) is 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide is CCC(CC)(NS(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F.
What is the InChIKey of 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide?
The InChIKey is YJCGDBGRVHRXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c1-3-11(4-2,12(13,14)15)18-21(19,20)10-6-5-9(7-16)17-8-10/h5-6,8,18H,3-4H2,1-2H3.
What are the key properties of 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide?
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide has a molecular weight of 321.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 126813970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).