2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline

C17H17NO2S — CID 10685557

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3C=CC2C)cc1
InChIInChI=1S/C17H17NO2S/c1-13-7-11-16(12-8-13)21(19,20)18-14(2)9-10-15-5-3-4-6-17(15)18/h3-12,14H,1-2H3
InChIKeyFJPWEXFMKVMBJW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.61
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline

2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline (PubChem CID 10685557) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
PubChem CID10685557
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3C=CC2C)cc1
InChIInChI=1S/C17H17NO2S/c1-13-7-11-16(12-8-13)21(19,20)18-14(2)9-10-15-5-3-4-6-17(15)18/h3-12,14H,1-2H3
InChIKeyFJPWEXFMKVMBJW-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
ethyl 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline-6-carboxylate
CID 54598283
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
3-methyl-4-(4-methylphenyl)sulfonyl-N-propan-2-yl-3H-1,4-benzothiazin-2-imine
CID 146162114
(3aR,9aR)-9-(4-methylphenyl)sulfonyl-2,3,3a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzothiazine
CID 44598734
2-ethenyl-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 10790460
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
4-methyl-N-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 1108481
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
(1S,2S,10S,11S)-21,24-dimethyl-3,12-bis-(4-methylphenyl)sulfonyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
CID 177392311
(5aR,10aR)-11-(4-methylphenyl)sulfonyl-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine
CID 44597020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline (CID 10685557) is 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline is Cc1ccc(S(=O)(=O)N2c3ccccc3C=CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
The InChIKey is FJPWEXFMKVMBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13-7-11-16(12-8-13)21(19,20)18-14(2)9-10-15-5-3-4-6-17(15)18/h3-12,14H,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline has a molecular weight of 299.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline is sourced from PubChem (CID 10685557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).