6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine

C15H15BrN2O2S — CID 61215839

IUPAC6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCc2ncccc2C1
InChIInChI=1S/C15H15BrN2O2S/c1-11-4-5-13(16)9-15(11)21(19,20)18-8-6-14-12(10-18)3-2-7-17-14/h2-5,7,9H,6,8,10H2,1H3
InChIKeyYFWDXXIFBWGYRM-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.90
Rot. Bonds2

About 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine

6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 61215839) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID61215839
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCc2ncccc2C1
InChIInChI=1S/C15H15BrN2O2S/c1-11-4-5-13(16)9-15(11)21(19,20)18-8-6-14-12(10-18)3-2-7-17-14/h2-5,7,9H,6,8,10H2,1H3
InChIKeyYFWDXXIFBWGYRM-UHFFFAOYSA-N
XLogP2.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 17460713
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylaniline
CID 28511921
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
CID 60861409
7-(5-bromo-2-methylphenyl)sulfonyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75457646
2-(2,3,4-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 898460
1-(5-bromo-2-methylphenyl)sulfonylimidazolidin-2-one
CID 61215707
(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 103830275
4-bromo-2-(1,3-dihydroisoindol-2-ylsulfonyl)aniline
CID 62205542
5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872831
4-(2,5-dimethylphenyl)sulfonyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 110872577

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine (CID 61215839) is 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine is Cc1ccc(Br)cc1S(=O)(=O)N1CCc2ncccc2C1.
What is the InChIKey of 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is YFWDXXIFBWGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-11-4-5-13(16)9-15(11)21(19,20)18-8-6-14-12(10-18)3-2-7-17-14/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 367.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 61215839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).