4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide

C19H24N2O4S2 — CID 20962999

IUPAC4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChIInChI=1S/C19H24N2O4S2/c1-3-13-26(22,23)21-12-4-5-16-8-9-17(14-19(16)21)20-27(24,25)18-10-6-15(2)7-11-18/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyDHKCFRHRUHSXBG-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.20
Rot. Bonds6

About 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide

4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide (PubChem CID 20962999) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
PubChem CID20962999
Molecular FormulaC19H24N2O4S2
Molecular Weight408.50 g/mol
Exact Mass408.12
IUPAC Name4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChIInChI=1S/C19H24N2O4S2/c1-3-13-26(22,23)21-12-4-5-16-8-9-17(14-19(16)21)20-27(24,25)18-10-6-15(2)7-11-18/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyDHKCFRHRUHSXBG-UHFFFAOYSA-N
XLogP3.20
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity688

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide (CID 20962999) is 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide is CCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C.
What is the InChIKey of 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The InChIKey is DHKCFRHRUHSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-3-13-26(22,23)21-12-4-5-16-8-9-17(14-19(16)21)20-27(24,25)18-10-6-15(2)7-11-18/h6-11,14,20H,3-5,12-13H2,1-2H3.
What are the key properties of 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 20962999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).