N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

C19H15ClN4O2S — CID 155546134

IUPACN-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1
InChIInChI=1S/C19H15ClN4O2S/c1-27(25,26)23-16-4-2-3-14(9-16)17-12-24-18(10-22-19(24)11-21-17)13-5-7-15(20)8-6-13/h2-12,23H,1H3
InChIKeyKGSXNBUCIQXZAI-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.09
Rot. Bonds4

About N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide

N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (PubChem CID 155546134) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
PubChem CID155546134
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1
InChIInChI=1S/C19H15ClN4O2S/c1-27(25,26)23-16-4-2-3-14(9-16)17-12-24-18(10-22-19(24)11-21-17)13-5-7-15(20)8-6-13/h2-12,23H,1H3
InChIKeyKGSXNBUCIQXZAI-UHFFFAOYSA-N
XLogP4.09
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide (CID 155546134) is N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
The InChIKey is KGSXNBUCIQXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-27(25,26)23-16-4-2-3-14(9-16)17-12-24-18(10-22-19(24)11-21-17)13-5-7-15(20)8-6-13/h2-12,23H,1H3.
What are the key properties of N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide?
N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide has a molecular weight of 398.88 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155546134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).