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

C17H18N2O3S — CID 16823330

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C17H18N2O3S/c1-13(20)19-11-5-6-14-9-10-15(12-17(14)19)18-23(21,22)16-7-3-2-4-8-16/h2-4,7-10,12,18H,5-6,11H2,1H3
InChIKeySSXGOYLTJLFBLP-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.79
Rot. Bonds3

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

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 16823330) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID16823330
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C17H18N2O3S/c1-13(20)19-11-5-6-14-9-10-15(12-17(14)19)18-23(21,22)16-7-3-2-4-8-16/h2-4,7-10,12,18H,5-6,11H2,1H3
InChIKeySSXGOYLTJLFBLP-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 16823330) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is CC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is SSXGOYLTJLFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13(20)19-11-5-6-14-9-10-15(12-17(14)19)18-23(21,22)16-7-3-2-4-8-16/h2-4,7-10,12,18H,5-6,11H2,1H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 16823330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).