2-(benzenesulfonyl)-6-methylquinoline

C16H13NO2S — CID 146164506

IUPAC2-(benzenesulfonyl)-6-methylquinoline
SMILESCc1ccc2nc(S(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C16H13NO2S/c1-12-7-9-15-13(11-12)8-10-16(17-15)20(18,19)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyJLNUIZMCJFRZDJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.38
Rot. Bonds2

About 2-(benzenesulfonyl)-6-methylquinoline

2-(benzenesulfonyl)-6-methylquinoline (PubChem CID 146164506) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-6-methylquinoline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-6-methylquinoline
PubChem CID146164506
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-(benzenesulfonyl)-6-methylquinoline
SMILESCc1ccc2nc(S(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C16H13NO2S/c1-12-7-9-15-13(11-12)8-10-16(17-15)20(18,19)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyJLNUIZMCJFRZDJ-UHFFFAOYSA-N
XLogP3.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-methylsulfonylquinoline
CID 138563727
2-(4-chlorophenyl)sulfonylquinoline
CID 122229120
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
CID 46376242
iodomethane;2-iodo-6-methylquinoline
CID 87637149
2-(benzenesulfonyl)-7-chloroquinoxaline
CID 70552396
3-(4-methylphenyl)sulfonylquinolin-2-amine
CID 1478074
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(benzenesulfonyl)-6,7-dichloroquinoxaline
CID 70552660
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
CID 102134774
2,7-dimethylacridine
CID 14490101
benzene;2-methylnaphthalene
CID 159438891

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-6-methylquinoline?
The IUPAC name of 2-(benzenesulfonyl)-6-methylquinoline (CID 146164506) is 2-(benzenesulfonyl)-6-methylquinoline.
What is the SMILES notation for 2-(benzenesulfonyl)-6-methylquinoline?
The canonical SMILES for 2-(benzenesulfonyl)-6-methylquinoline is Cc1ccc2nc(S(=O)(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-6-methylquinoline?
The InChIKey is JLNUIZMCJFRZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-12-7-9-15-13(11-12)8-10-16(17-15)20(18,19)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 2-(benzenesulfonyl)-6-methylquinoline?
2-(benzenesulfonyl)-6-methylquinoline has a molecular weight of 283.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-6-methylquinoline is sourced from PubChem (CID 146164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).