1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide

C23H26N2O4S2 — CID 43955956

IUPAC1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc4ccccc34)ccc21
InChIInChI=1S/C23H26N2O4S2/c1-2-15-31(28,29)25-14-6-10-19-16-21(12-13-23(19)25)24-30(26,27)17-20-9-5-8-18-7-3-4-11-22(18)20/h3-5,7-9,11-13,16,24H,2,6,10,14-15,17H2,1H3
InChIKeyGWZMXJOEXOCSLF-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.27
Rot. Bonds7

About 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide

1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (PubChem CID 43955956) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
PubChem CID43955956
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Name1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc4ccccc34)ccc21
InChIInChI=1S/C23H26N2O4S2/c1-2-15-31(28,29)25-14-6-10-19-16-21(12-13-23(19)25)24-30(26,27)17-20-9-5-8-18-7-3-4-11-22(18)20/h3-5,7-9,11-13,16,24H,2,6,10,14-15,17H2,1H3
InChIKeyGWZMXJOEXOCSLF-UHFFFAOYSA-N
XLogP4.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (CID 43955956) is 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc4ccccc34)ccc21.
What is the InChIKey of 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The InChIKey is GWZMXJOEXOCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-2-15-31(28,29)25-14-6-10-19-16-21(12-13-23(19)25)24-30(26,27)17-20-9-5-8-18-7-3-4-11-22(18)20/h3-5,7-9,11-13,16,24H,2,6,10,14-15,17H2,1H3.
What are the key properties of 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide has a molecular weight of 458.61 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 43955956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).