4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide

C17H14FN3O3S — CID 126474460

IUPAC4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3S/c18-14-5-7-15(8-6-14)25(23,24)21-17-16(19-9-10-20-17)13-3-1-12(11-22)2-4-13/h1-10,22H,11H2,(H,20,21)
InChIKeyRIBSRROFDYLODO-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.58
Rot. Bonds5

About 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide

4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide (PubChem CID 126474460) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
PubChem CID126474460
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3S/c18-14-5-7-15(8-6-14)25(23,24)21-17-16(19-9-10-20-17)13-3-1-12(11-22)2-4-13/h1-10,22H,11H2,(H,20,21)
InChIKeyRIBSRROFDYLODO-UHFFFAOYSA-N
XLogP2.58
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 77050680
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 77844749
(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)methanol
CID 77844324
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 77844455
4''-(5-Aminopyrazin-2-yl)-3''-fluoro-N-(3-hydroxy-1,1-dimethylpropyl)biphenyl-2-sulfonamide
CID 77844456
4''-(5-Aminopyrazin-2-yl)-3''-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)biphenyl-2-sulfonamide
CID 77844517
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 77844580
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
CID 77844583
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-cyclohexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 77844585
4'-(5-Aminopyrazin-2-yl)-N,N-diethyl-3'-fluorobiphenyl-2-sulfonamide
CID 77844641
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(6-hydroxyhexyl)benzenesulfonamide
CID 77844645
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenylethyl]biphenyl-2-sulfonamide
CID 77844752

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide (CID 126474460) is 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is RIBSRROFDYLODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-14-5-7-15(8-6-14)25(23,24)21-17-16(19-9-10-20-17)13-3-1-12(11-22)2-4-13/h1-10,22H,11H2,(H,20,21).
What are the key properties of 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 359.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 126474460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).