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

C19H22N2O3S — CID 7517548

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21
InChIInChI=1S/C19H22N2O3S/c1-13-6-9-18(11-14(13)2)25(23,24)20-17-8-7-16-5-4-10-21(15(3)22)19(16)12-17/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyNBKYISSPTIBPHM-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.40
Rot. Bonds3

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

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 7517548) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID7517548
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21
InChIInChI=1S/C19H22N2O3S/c1-13-6-9-18(11-14(13)2)25(23,24)20-17-8-7-16-5-4-10-21(15(3)22)19(16)12-17/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyNBKYISSPTIBPHM-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.40
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)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide (CID 7517548) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide is CC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is NBKYISSPTIBPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-6-9-18(11-14(13)2)25(23,24)20-17-8-7-16-5-4-10-21(15(3)22)19(16)12-17/h6-9,11-12,20H,4-5,10H2,1-3H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.40, 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)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 7517548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).