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

C17H17FN2O3S — CID 7517556

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C17H17FN2O3S/c1-12(21)20-9-3-4-13-7-8-15(11-17(13)20)19-24(22,23)16-6-2-5-14(18)10-16/h2,5-8,10-11,19H,3-4,9H2,1H3
InChIKeyBOXOGRRHNXQDLH-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.93
Rot. Bonds3

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

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide (PubChem CID 7517556) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
PubChem CID7517556
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C17H17FN2O3S/c1-12(21)20-9-3-4-13-7-8-15(11-17(13)20)19-24(22,23)16-6-2-5-14(18)10-16/h2,5-8,10-11,19H,3-4,9H2,1H3
InChIKeyBOXOGRRHNXQDLH-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
CID 50832530
3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 110729158
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzenesulfonamide
CID 7517558
5-acetyl-N-(3-fluorophenyl)-3,4-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 53083558
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide (CID 7517556) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide is CC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide?
The InChIKey is BOXOGRRHNXQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-12(21)20-9-3-4-13-7-8-15(11-17(13)20)19-24(22,23)16-6-2-5-14(18)10-16/h2,5-8,10-11,19H,3-4,9H2,1H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.93, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 7517556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).