2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide

C17H16ClFN2O3S — CID 110603939

IUPAC2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C17H16ClFN2O3S/c1-25(23,24)21-10-9-14(11-5-2-3-8-15(11)21)20-17(22)16-12(18)6-4-7-13(16)19/h2-8,14H,9-10H2,1H3,(H,20,22)
InChIKeyYQXWGSXKCFRWLI-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide

2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide (PubChem CID 110603939) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
PubChem CID110603939
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C17H16ClFN2O3S/c1-25(23,24)21-10-9-14(11-5-2-3-8-15(11)21)20-17(22)16-12(18)6-4-7-13(16)19/h2-8,14H,9-10H2,1H3,(H,20,22)
InChIKeyYQXWGSXKCFRWLI-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclopropanecarboxamide
CID 110424127
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110603917
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclohexanecarboxamide
CID 110424130
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
1-tert-butyl-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110667441
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
2-chloro-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-fluorobenzamide
CID 26323589
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
CID 108563065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide (CID 110603939) is 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)c2ccccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
The InChIKey is YQXWGSXKCFRWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-25(23,24)21-10-9-14(11-5-2-3-8-15(11)21)20-17(22)16-12(18)6-4-7-13(16)19/h2-8,14H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide has a molecular weight of 382.84 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide is sourced from PubChem (CID 110603939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).