N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide

C17H19FN2O4S2 — CID 20963040

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H19FN2O4S2/c1-2-25(21,22)20-11-3-4-13-5-8-15(12-17(13)20)19-26(23,24)16-9-6-14(18)7-10-16/h5-10,12,19H,2-4,11H2,1H3
InChIKeyJBSDOPUBFLXLCV-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.73
Rot. Bonds5

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide (PubChem CID 20963040) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide
PubChem CID20963040
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H19FN2O4S2/c1-2-25(21,22)20-11-3-4-13-5-8-15(12-17(13)20)19-26(23,24)16-9-6-14(18)7-10-16/h5-10,12,19H,2-4,11H2,1H3
InChIKeyJBSDOPUBFLXLCV-UHFFFAOYSA-N
XLogP2.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide (CID 20963040) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide is CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide?
The InChIKey is JBSDOPUBFLXLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-2-25(21,22)20-11-3-4-13-5-8-15(12-17(13)20)19-26(23,24)16-9-6-14(18)7-10-16/h5-10,12,19H,2-4,11H2,1H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 20963040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).