N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide

C22H18ClN3O3S — CID 154604954

IUPACN-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)c1NS(C)(=O)=O
InChIInChI=1S/C22H18ClN3O3S/c1-13-10-15(11-18(23)20(13)26-30(2,28)29)16-12-17-19(27)8-9-24-22(17)25-21(16)14-6-4-3-5-7-14/h3-12,26H,1-2H3,(H,24,25,27)
InChIKeyTYJXTMUNYGMNEY-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.59
Rot. Bonds4

About N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide

N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide (PubChem CID 154604954) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide
PubChem CID154604954
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC NameN-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)c1NS(C)(=O)=O
InChIInChI=1S/C22H18ClN3O3S/c1-13-10-15(11-18(23)20(13)26-30(2,28)29)16-12-17-19(27)8-9-24-22(17)25-21(16)14-6-4-3-5-7-14/h3-12,26H,1-2H3,(H,24,25,27)
InChIKeyTYJXTMUNYGMNEY-UHFFFAOYSA-N
XLogP4.59
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide (CID 154604954) is N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)c1NS(C)(=O)=O.
What is the InChIKey of N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide?
The InChIKey is TYJXTMUNYGMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-13-10-15(11-18(23)20(13)26-30(2,28)29)16-12-17-19(27)8-9-24-22(17)25-21(16)14-6-4-3-5-7-14/h3-12,26H,1-2H3,(H,24,25,27).
What are the key properties of N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide?
N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 154604954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).