N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide

C23H18F4N2O3S — CID 27545964

IUPACN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F4N2O3S/c24-18-6-9-20(10-7-18)33(31,32)29-12-2-4-15-14-19(8-11-21(15)29)28-22(30)16-3-1-5-17(13-16)23(25,26)27/h1,3,5-11,13-14H,2,4,12H2,(H,28,30)
InChIKeyRPOBHQUMUKBEMF-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.24
Rot. Bonds4

About N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide (PubChem CID 27545964) has the molecular formula C23H18F4N2O3S and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
PubChem CID27545964
Molecular FormulaC23H18F4N2O3S
Molecular Weight478.47 g/mol
Exact Mass478.10
IUPAC NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F4N2O3S/c24-18-6-9-20(10-7-18)33(31,32)29-12-2-4-15-14-19(8-11-21(15)29)28-22(30)16-3-1-5-17(13-16)23(25,26)27/h1,3,5-11,13-14H,2,4,12H2,(H,28,30)
InChIKeyRPOBHQUMUKBEMF-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 27549201
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-propan-2-yloxybenzamide
CID 27532570
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzamide
CID 27537420
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
2,6-dichloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69282851
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7657751
2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]pyridine-4-carboxamide
CID 90088378

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide (CID 27545964) is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is RPOBHQUMUKBEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O3S/c24-18-6-9-20(10-7-18)33(31,32)29-12-2-4-15-14-19(8-11-21(15)29)28-22(30)16-3-1-5-17(13-16)23(25,26)27/h1,3,5-11,13-14H,2,4,12H2,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide?
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 478.47 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 27545964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).