2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide

C10H15FN2O3S — CID 20741949

IUPAC2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1c(C)ccnc1C(O)C(C)F
InChIInChI=1S/C10H15FN2O3S/c1-6-4-5-13-8(9(14)7(2)11)10(6)17(15,16)12-3/h4-5,7,9,12,14H,1-3H3
InChIKeyJWMNVVCTBAUTBB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide

2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide (PubChem CID 20741949) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide
PubChem CID20741949
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1c(C)ccnc1C(O)C(C)F
InChIInChI=1S/C10H15FN2O3S/c1-6-4-5-13-8(9(14)7(2)11)10(6)17(15,16)12-3/h4-5,7,9,12,14H,1-3H3
InChIKeyJWMNVVCTBAUTBB-UHFFFAOYSA-N
XLogP0.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide?
The IUPAC name of 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide (CID 20741949) is 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide is CNS(=O)(=O)c1c(C)ccnc1C(O)C(C)F.
What is the InChIKey of 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide?
The InChIKey is JWMNVVCTBAUTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-6-4-5-13-8(9(14)7(2)11)10(6)17(15,16)12-3/h4-5,7,9,12,14H,1-3H3.
What are the key properties of 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide?
2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 20741949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).