4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one

C21H15BrN2O3S — CID 25131912

IUPAC4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1cc(S(=O)(=O)Cc2ccccc2Br)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C21H15BrN2O3S/c22-18-11-5-4-7-15(18)14-28(26,27)19-13-20(25)24(16-8-2-1-3-9-16)21-17(19)10-6-12-23-21/h1-13H,14H2
InChIKeyJVCGACYLQLDCMV-UHFFFAOYSA-N
MW455.33 g/mol
LogP4.12
Rot. Bonds4

About 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one

4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 25131912) has the molecular formula C21H15BrN2O3S and a molecular weight of 455.33 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one
PubChem CID25131912
Molecular FormulaC21H15BrN2O3S
Molecular Weight455.33 g/mol
Exact Mass454.00
IUPAC Name4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1cc(S(=O)(=O)Cc2ccccc2Br)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C21H15BrN2O3S/c22-18-11-5-4-7-15(18)14-28(26,27)19-13-20(25)24(16-8-2-1-3-9-16)21-17(19)10-6-12-23-21/h1-13H,14H2
InChIKeyJVCGACYLQLDCMV-UHFFFAOYSA-N
XLogP4.12
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one (CID 25131912) is 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one is O=c1cc(S(=O)(=O)Cc2ccccc2Br)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is JVCGACYLQLDCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O3S/c22-18-11-5-4-7-15(18)14-28(26,27)19-13-20(25)24(16-8-2-1-3-9-16)21-17(19)10-6-12-23-21/h1-13H,14H2.
What are the key properties of 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one?
4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 455.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 25131912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).