5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide

C13H21FN2O3S — CID 97325983

IUPAC5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
SMILESCC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-10(2)4-5-13(3,17)9-16-20(18,19)12-6-11(14)7-15-8-12/h6-8,10,16-17H,4-5,9H2,1-3H3/t13-/m1/s1
InChIKeyIHCYADSQGBPCIP-CYBMUJFWSA-N
MW304.39 g/mol
LogP1.69
Rot. Bonds7

About 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide

5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide (PubChem CID 97325983) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
PubChem CID97325983
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
SMILESCC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-10(2)4-5-13(3,17)9-16-20(18,19)12-6-11(14)7-15-8-12/h6-8,10,16-17H,4-5,9H2,1-3H3/t13-/m1/s1
InChIKeyIHCYADSQGBPCIP-CYBMUJFWSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 115309880
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119985163
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000
2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane
CID 111450153
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 62521778
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76923070

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide (CID 97325983) is 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide is CC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide?
The InChIKey is IHCYADSQGBPCIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-10(2)4-5-13(3,17)9-16-20(18,19)12-6-11(14)7-15-8-12/h6-8,10,16-17H,4-5,9H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide?
5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97325983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).