2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide

C22H18ClFN2O3S — CID 18565134

IUPAC2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
InChIKeyLKFZKPRWHFURRD-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.87
Rot. Bonds4

About 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide

2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (PubChem CID 18565134) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
PubChem CID18565134
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC Name2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
InChIKeyLKFZKPRWHFURRD-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
2,6-difluoro-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565104
2,6-difluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565138
2-chloro-6-fluoro-N-[1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzamide
CID 18565141
2-fluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565142
2,6-difluoro-N-(1-tosyl-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18578056
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-methylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118167818
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650
2-Chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 2981363
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 3431315
N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
CID 4085591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (CID 18565134) is 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The InChIKey is LKFZKPRWHFURRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27).
What are the key properties of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide has a molecular weight of 444.92 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is sourced from PubChem (CID 18565134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).