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

C17H15N5O3S — CID 126472408

IUPAC4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccoc4)cnc23)cc1
InChIInChI=1S/C17H15N5O3S/c18-26(23,24)14-3-1-12(2-4-14)9-20-16-17-21-10-15(13-5-8-25-11-13)22(17)7-6-19-16/h1-8,10-11H,9H2,(H,19,20)(H2,18,23,24)
InChIKeyDGIBZGRTVJLOTQ-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.25
Rot. Bonds5

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

4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 126472408) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID126472408
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccoc4)cnc23)cc1
InChIInChI=1S/C17H15N5O3S/c18-26(23,24)14-3-1-12(2-4-14)9-20-16-17-21-10-15(13-5-8-25-11-13)22(17)7-6-19-16/h1-8,10-11H,9H2,(H,19,20)(H2,18,23,24)
InChIKeyDGIBZGRTVJLOTQ-UHFFFAOYSA-N
XLogP2.25
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 126472408) is 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccoc4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is DGIBZGRTVJLOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c18-26(23,24)14-3-1-12(2-4-14)9-20-16-17-21-10-15(13-5-8-25-11-13)22(17)7-6-19-16/h1-8,10-11H,9H2,(H,19,20)(H2,18,23,24).
What are the key properties of 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 126472408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).