4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline

C18H21NO2S — CID 91938897

IUPAC4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-14-8-10-15(11-9-14)22(20,21)19-13-12-18(2,3)16-6-4-5-7-17(16)19/h4-11H,12-13H2,1-3H3
InChIKeyOPIQJXUYBAGSFH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.87
Rot. Bonds2

About 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline (PubChem CID 91938897) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
PubChem CID91938897
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-14-8-10-15(11-9-14)22(20,21)19-13-12-18(2,3)16-6-4-5-7-17(16)19/h4-11H,12-13H2,1-3H3
InChIKeyOPIQJXUYBAGSFH-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline
CID 91946252
4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol
CID 164665252
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362
2-methyl-2-(2-methylphenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 134927022
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
(6aR,11bR)-7-methyl-3-(4-methylphenyl)sulfonyl-1,2,6,6a-tetrahydropyrrolo[2,3-d]carbazol-5-one
CID 138973907
1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one
CID 24963901
(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
(2E)-2-[4,4-difluoro-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid
CID 18324689
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline?
The IUPAC name of 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline (CID 91938897) is 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline.
What is the SMILES notation for 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline?
The canonical SMILES for 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline is Cc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1.
What is the InChIKey of 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline?
The InChIKey is OPIQJXUYBAGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-8-10-15(11-9-14)22(20,21)19-13-12-18(2,3)16-6-4-5-7-17(16)19/h4-11H,12-13H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline?
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline has a molecular weight of 315.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline is sourced from PubChem (CID 91938897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).