N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide

C17H14BrN3O3S — CID 161000215

IUPACN-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)c1cc(-c2ccc(Br)cc2)nc2ccncc12
InChIInChI=1S/C17H14BrN3O3S/c1-25(23,24)20-10-17(22)13-8-16(11-2-4-12(18)5-3-11)21-15-6-7-19-9-14(13)15/h2-9,20H,10H2,1H3
InChIKeyFAODMNXRXXDRAF-UHFFFAOYSA-N
MW420.29 g/mol
LogP2.79
Rot. Bonds5

About N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide

N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 161000215) has the molecular formula C17H14BrN3O3S and a molecular weight of 420.29 g/mol. Its IUPAC name is N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
PubChem CID161000215
Molecular FormulaC17H14BrN3O3S
Molecular Weight420.29 g/mol
Exact Mass418.99
IUPAC NameN-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)c1cc(-c2ccc(Br)cc2)nc2ccncc12
InChIInChI=1S/C17H14BrN3O3S/c1-25(23,24)20-10-17(22)13-8-16(11-2-4-12(18)5-3-11)21-15-6-7-19-9-14(13)15/h2-9,20H,10H2,1H3
InChIKeyFAODMNXRXXDRAF-UHFFFAOYSA-N
XLogP2.79
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide (CID 161000215) is N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)c1cc(-c2ccc(Br)cc2)nc2ccncc12.
What is the InChIKey of N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is FAODMNXRXXDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S/c1-25(23,24)20-10-17(22)13-8-16(11-2-4-12(18)5-3-11)21-15-6-7-19-9-14(13)15/h2-9,20H,10H2,1H3.
What are the key properties of N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 420.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 161000215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).