N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H17F3N2O3S — CID 75476540

IUPACN-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCC(C)C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O3S/c1-3-8(2)10(18)7-17-21(19,20)9-4-5-11(16-6-9)12(13,14)15/h4-6,8,10,17-18H,3,7H2,1-2H3
InChIKeyBWYOOKXQVRTMRE-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.79
Rot. Bonds6

About N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75476540) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75476540
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC NameN-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCC(C)C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O3S/c1-3-8(2)10(18)7-17-21(19,20)9-4-5-11(16-6-9)12(13,14)15/h4-6,8,10,17-18H,3,7H2,1-2H3
InChIKeyBWYOOKXQVRTMRE-UHFFFAOYSA-N
XLogP1.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349839
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711887
6-amino-N-(3-ethyl-2-hydroxypentyl)pyridine-3-sulfonamide
CID 106284185
3-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]butanoic acid
CID 122067949
N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 120664886
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836844

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75476540) is N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CCC(C)C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is BWYOOKXQVRTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-3-8(2)10(18)7-17-21(19,20)9-4-5-11(16-6-9)12(13,14)15/h4-6,8,10,17-18H,3,7H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75476540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).