1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C19H21FN2O3S — CID 17248081

IUPAC1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-2-11-21-26(24,25)17-9-10-18-15(13-17)4-3-12-22(18)19(23)14-5-7-16(20)8-6-14/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyYGPJVSNMMXKUIS-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248081) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248081
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-2-11-21-26(24,25)17-9-10-18-15(13-17)4-3-12-22(18)19(23)14-5-7-16(20)8-6-14/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyYGPJVSNMMXKUIS-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248135
1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247963
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248119
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
1-(4-fluorobenzoyl)-N-(4-phenoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248136

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248081) is 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is YGPJVSNMMXKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-11-21-26(24,25)17-9-10-18-15(13-17)4-3-12-22(18)19(23)14-5-7-16(20)8-6-14/h5-10,13,21H,2-4,11-12H2,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).