2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C20H26N2O4S2 — CID 20963005

IUPAC2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21
InChIInChI=1S/C20H26N2O4S2/c1-4-12-27(23,24)22-11-5-6-17-8-9-18(14-19(17)22)21-28(25,26)20-10-7-15(2)13-16(20)3/h7-10,13-14,21H,4-6,11-12H2,1-3H3
InChIKeyCSHDYAQJXBZBMF-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.60
Rot. Bonds6

About 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 20963005) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID20963005
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21
InChIInChI=1S/C20H26N2O4S2/c1-4-12-27(23,24)22-11-5-6-17-8-9-18(14-19(17)22)21-28(25,26)20-10-7-15(2)13-16(20)3/h7-10,13-14,21H,4-6,11-12H2,1-3H3
InChIKeyCSHDYAQJXBZBMF-UHFFFAOYSA-N
XLogP3.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 20963005) is 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21.
What is the InChIKey of 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is CSHDYAQJXBZBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-4-12-27(23,24)22-11-5-6-17-8-9-18(14-19(17)22)21-28(25,26)20-10-7-15(2)13-16(20)3/h7-10,13-14,21H,4-6,11-12H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 422.57 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 20963005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).