(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide

C17H20N2O2S — CID 175307098

IUPAC(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
SMILESCc1ccc(C(c2ccc3c(c2)CCCN3)S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O2S/c1-12-4-6-13(7-5-12)17(22(18,20)21)15-8-9-16-14(11-15)3-2-10-19-16/h4-9,11,17,19H,2-3,10H2,1H3,(H2,18,20,21)
InChIKeyNIGRYQGOLXWWQY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.73
Rot. Bonds3

About (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide

(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide (PubChem CID 175307098) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
PubChem CID175307098
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
SMILESCc1ccc(C(c2ccc3c(c2)CCCN3)S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O2S/c1-12-4-6-13(7-5-12)17(22(18,20)21)15-8-9-16-14(11-15)3-2-10-19-16/h4-9,11,17,19H,2-3,10H2,1H3,(H2,18,20,21)
InChIKeyNIGRYQGOLXWWQY-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-1,2,3,4-tetrahydroquinoline
CID 134851605
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
CID 131363132
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
cyclobutyl(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 165354745
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide (CID 175307098) is (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide is Cc1ccc(C(c2ccc3c(c2)CCCN3)S(N)(=O)=O)cc1.
What is the InChIKey of (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide?
The InChIKey is NIGRYQGOLXWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-4-6-13(7-5-12)17(22(18,20)21)15-8-9-16-14(11-15)3-2-10-19-16/h4-9,11,17,19H,2-3,10H2,1H3,(H2,18,20,21).
What are the key properties of (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide?
(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 175307098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).