3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

C23H18F3N3O4S — CID 27993658

IUPAC3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2N1
InChIInChI=1S/C23H18F3N3O4S/c24-23(25,26)16-4-2-5-17(13-16)27-22(31)15-3-1-6-18(11-15)29-34(32,33)19-8-9-20-14(12-19)7-10-21(30)28-20/h1-6,8-9,11-13,29H,7,10H2,(H,27,31)(H,28,30)
InChIKeyHQLRHKVNNUHHRX-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.64
Rot. Bonds5

About 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 27993658) has the molecular formula C23H18F3N3O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID27993658
Molecular FormulaC23H18F3N3O4S
Molecular Weight489.48 g/mol
Exact Mass489.10
IUPAC Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2N1
InChIInChI=1S/C23H18F3N3O4S/c24-23(25,26)16-4-2-5-17(13-16)27-22(31)15-3-1-6-18(11-15)29-34(32,33)19-8-9-20-14(12-19)7-10-21(30)28-20/h1-6,8-9,11-13,29H,7,10H2,(H,27,31)(H,28,30)
InChIKeyHQLRHKVNNUHHRX-UHFFFAOYSA-N
XLogP4.64
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18230196
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110768501
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 29373934
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 51200460
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 27993658) is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2N1.
What is the InChIKey of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HQLRHKVNNUHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c24-23(25,26)16-4-2-5-17(13-16)27-22(31)15-3-1-6-18(11-15)29-34(32,33)19-8-9-20-14(12-19)7-10-21(30)28-20/h1-6,8-9,11-13,29H,7,10H2,(H,27,31)(H,28,30).
What are the key properties of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 489.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 27993658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).