4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C19H15F2N5O3S — CID 135998294

IUPAC4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4cc(F)c(O)c(F)c4)cnc23)cc1
InChIInChI=1S/C19H15F2N5O3S/c20-14-7-12(8-15(21)17(14)27)16-10-25-19-18(23-5-6-26(16)19)24-9-11-1-3-13(4-2-11)30(22,28)29/h1-8,10,27H,9H2,(H,23,24)(H2,22,28,29)
InChIKeyXGFWSJMJANZFSI-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.64
Rot. Bonds5

About 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 135998294) has the molecular formula C19H15F2N5O3S and a molecular weight of 431.42 g/mol. Its IUPAC name is 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID135998294
Molecular FormulaC19H15F2N5O3S
Molecular Weight431.42 g/mol
Exact Mass431.09
IUPAC Name4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4cc(F)c(O)c(F)c4)cnc23)cc1
InChIInChI=1S/C19H15F2N5O3S/c20-14-7-12(8-15(21)17(14)27)16-10-25-19-18(23-5-6-26(16)19)24-9-11-1-3-13(4-2-11)30(22,28)29/h1-8,10,27H,9H2,(H,23,24)(H2,22,28,29)
InChIKeyXGFWSJMJANZFSI-UHFFFAOYSA-N
XLogP2.64
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 135998294) is 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cc(F)c(O)c(F)c4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is XGFWSJMJANZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S/c20-14-7-12(8-15(21)17(14)27)16-10-25-19-18(23-5-6-26(16)19)24-9-11-1-3-13(4-2-11)30(22,28)29/h1-8,10,27H,9H2,(H,23,24)(H2,22,28,29).
What are the key properties of 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 431.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3,5-difluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 135998294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).