4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide

C12H19FN2O3S — CID 174390313

IUPAC4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
SMILESCCCCc1ccnc(C(O)C(C)F)c1S(N)(=O)=O
InChIInChI=1S/C12H19FN2O3S/c1-3-4-5-9-6-7-15-10(11(16)8(2)13)12(9)19(14,17)18/h6-8,11,16H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyWEWNSCZJDCMIOH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds6

About 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide

4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 174390313) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID174390313
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
SMILESCCCCc1ccnc(C(O)C(C)F)c1S(N)(=O)=O
InChIInChI=1S/C12H19FN2O3S/c1-3-4-5-9-6-7-15-10(11(16)8(2)13)12(9)19(14,17)18/h6-8,11,16H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyWEWNSCZJDCMIOH-UHFFFAOYSA-N
XLogP1.46
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide (CID 174390313) is 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide is CCCCc1ccnc(C(O)C(C)F)c1S(N)(=O)=O.
What is the InChIKey of 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is WEWNSCZJDCMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-3-4-5-9-6-7-15-10(11(16)8(2)13)12(9)19(14,17)18/h6-8,11,16H,3-5H2,1-2H3,(H2,14,17,18).
What are the key properties of 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide?
4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 174390313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).