N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide

C20H15ClN4O3S — CID 154656476

IUPACN-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3ccc(=O)[nH]c3nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C20H15ClN4O3S/c1-29(27,28)25-15-8-7-13(11-14(15)21)19-18(12-5-3-2-4-6-12)24-20-16(22-19)9-10-17(26)23-20/h2-11,25H,1H3,(H,23,24,26)
InChIKeyDEWLRUQBGINLDW-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.68
Rot. Bonds4

About N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide

N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide (PubChem CID 154656476) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide
PubChem CID154656476
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC NameN-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3ccc(=O)[nH]c3nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C20H15ClN4O3S/c1-29(27,28)25-15-8-7-13(11-14(15)21)19-18(12-5-3-2-4-6-12)24-20-16(22-19)9-10-17(26)23-20/h2-11,25H,1H3,(H,23,24,26)
InChIKeyDEWLRUQBGINLDW-UHFFFAOYSA-N
XLogP3.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide (CID 154656476) is N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nc3ccc(=O)[nH]c3nc2-c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide?
The InChIKey is DEWLRUQBGINLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c1-29(27,28)25-15-8-7-13(11-14(15)21)19-18(12-5-3-2-4-6-12)24-20-16(22-19)9-10-17(26)23-20/h2-11,25H,1H3,(H,23,24,26).
What are the key properties of N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide?
N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide has a molecular weight of 426.89 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 154656476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).