N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide

C13H14FN3O3S — CID 166258261

IUPACN-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(O)cc(F)c1)c1cnc2n1CCCC2
InChIInChI=1S/C13H14FN3O3S/c14-9-5-10(7-11(18)6-9)16-21(19,20)13-8-15-12-3-1-2-4-17(12)13/h5-8,16,18H,1-4H2
InChIKeyUIXHAOWAYXQABA-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.86
Rot. Bonds3

About N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide

N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 166258261) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID166258261
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(O)cc(F)c1)c1cnc2n1CCCC2
InChIInChI=1S/C13H14FN3O3S/c14-9-5-10(7-11(18)6-9)16-21(19,20)13-8-15-12-3-1-2-4-17(12)13/h5-8,16,18H,1-4H2
InChIKeyUIXHAOWAYXQABA-UHFFFAOYSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide (CID 166258261) is N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide is O=S(=O)(Nc1cc(O)cc(F)c1)c1cnc2n1CCCC2.
What is the InChIKey of N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is UIXHAOWAYXQABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c14-9-5-10(7-11(18)6-9)16-21(19,20)13-8-15-12-3-1-2-4-17(12)13/h5-8,16,18H,1-4H2.
What are the key properties of N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 166258261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).