2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

C22H30N2O4S2 — CID 27368931

IUPAC2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21
InChIInChI=1S/C22H30N2O4S2/c1-6-12-29(25,26)24-11-7-8-19-14-20(9-10-21(19)24)23-30(27,28)22-17(4)15(2)13-16(3)18(22)5/h9-10,13-14,23H,6-8,11-12H2,1-5H3
InChIKeyBOCQCILBUKVTBE-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.21
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (PubChem CID 27368931) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
PubChem CID27368931
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC Name2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21
InChIInChI=1S/C22H30N2O4S2/c1-6-12-29(25,26)24-11-7-8-19-14-20(9-10-21(19)24)23-30(27,28)22-17(4)15(2)13-16(3)18(22)5/h9-10,13-14,23H,6-8,11-12H2,1-5H3
InChIKeyBOCQCILBUKVTBE-UHFFFAOYSA-N
XLogP4.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955956
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 20933603
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834941

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (CID 27368931) is 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is BOCQCILBUKVTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-6-12-29(25,26)24-11-7-8-19-14-20(9-10-21(19)24)23-30(27,28)22-17(4)15(2)13-16(3)18(22)5/h9-10,13-14,23H,6-8,11-12H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 450.63 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 27368931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).