N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide

C21H17F3N2O4S — CID 171357293

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C21H17F3N2O4S/c22-21(23,24)15-5-8-17(9-6-15)31(28,29)25-16-7-10-18-14(13-16)3-1-11-26(18)20(27)19-4-2-12-30-19/h2,4-10,12-13,25H,1,3,11H2
InChIKeyHRSFJBQMNVXAHA-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 171357293) has the molecular formula C21H17F3N2O4S and a molecular weight of 450.44 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID171357293
Molecular FormulaC21H17F3N2O4S
Molecular Weight450.44 g/mol
Exact Mass450.09
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C21H17F3N2O4S/c22-21(23,24)15-5-8-17(9-6-15)31(28,29)25-16-7-10-18-14(13-16)3-1-11-26(18)20(27)19-4-2-12-30-19/h2,4-10,12-13,25H,1,3,11H2
InChIKeyHRSFJBQMNVXAHA-UHFFFAOYSA-N
XLogP4.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methylthiophene-2-sulfonamide
CID 7498873
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
CID 171347084
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 16834590
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955729
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 171357293) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide is O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HRSFJBQMNVXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4S/c22-21(23,24)15-5-8-17(9-6-15)31(28,29)25-16-7-10-18-14(13-16)3-1-11-26(18)20(27)19-4-2-12-30-19/h2,4-10,12-13,25H,1,3,11H2.
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 450.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 171357293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).