4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C19H16FN5O3S — CID 135931643

IUPAC4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4F)cnc23)cc1
InChIInChI=1S/C19H16FN5O3S/c20-16-9-13(26)3-6-15(16)17-11-24-19-18(22-7-8-25(17)19)23-10-12-1-4-14(5-2-12)29(21,27)28/h1-9,11,26H,10H2,(H,22,23)(H2,21,27,28)
InChIKeyJVMWXARNXCVSIK-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.50
Rot. Bonds5

About 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135931643) has the molecular formula C19H16FN5O3S and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135931643
Molecular FormulaC19H16FN5O3S
Molecular Weight413.43 g/mol
Exact Mass413.10
IUPAC Name4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4F)cnc23)cc1
InChIInChI=1S/C19H16FN5O3S/c20-16-9-13(26)3-6-15(16)17-11-24-19-18(22-7-8-25(17)19)23-10-12-1-4-14(5-2-12)29(21,27)28/h1-9,11,26H,10H2,(H,22,23)(H2,21,27,28)
InChIKeyJVMWXARNXCVSIK-UHFFFAOYSA-N
XLogP2.50
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135931643) is 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4F)cnc23)cc1.
What is the InChIKey of 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is JVMWXARNXCVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3S/c20-16-9-13(26)3-6-15(16)17-11-24-19-18(22-7-8-25(17)19)23-10-12-1-4-14(5-2-12)29(21,27)28/h1-9,11,26H,10H2,(H,22,23)(H2,21,27,28).
What are the key properties of 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 413.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135931643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).