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

C22H18F2N2O3S — CID 18565143

IUPAC3-fluoro-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)c1cccc(F)c1
InChIInChI=1S/C22H18F2N2O3S/c23-17-7-10-20(11-8-17)30(28,29)26-12-2-4-15-6-9-19(14-21(15)26)25-22(27)16-3-1-5-18(24)13-16/h1,3,5-11,13-14H,2,4,12H2,(H,25,27)
InChIKeyMEBTXWKCTDJRTI-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.36
Rot. Bonds4

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

3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (PubChem CID 18565143) has the molecular formula C22H18F2N2O3S and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
PubChem CID18565143
Molecular FormulaC22H18F2N2O3S
Molecular Weight428.46 g/mol
Exact Mass428.10
IUPAC Name3-fluoro-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)c1cccc(F)c1
InChIInChI=1S/C22H18F2N2O3S/c23-17-7-10-20(11-8-17)30(28,29)26-12-2-4-15-6-9-19(14-21(15)26)25-22(27)16-3-1-5-18(24)13-16/h1,3,5-11,13-14H,2,4,12H2,(H,25,27)
InChIKeyMEBTXWKCTDJRTI-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide (CID 18565143) is 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The canonical SMILES for 3-fluoro-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)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The InChIKey is MEBTXWKCTDJRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3S/c23-17-7-10-20(11-8-17)30(28,29)26-12-2-4-15-6-9-19(14-21(15)26)25-22(27)16-3-1-5-18(24)13-16/h1,3,5-11,13-14H,2,4,12H2,(H,25,27).
What are the key properties of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide?
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide has a molecular weight of 428.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide is sourced from PubChem (CID 18565143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).