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

C20H21F3N2O3S — CID 31845243

IUPACN-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C20H21F3N2O3S/c1-13(2)24-29(27,28)17-7-3-5-15(12-17)19(26)25-10-4-6-14-11-16(20(21,22)23)8-9-18(14)25/h3,5,7-9,11-13,24H,4,6,10H2,1-2H3
InChIKeyZUWKTLXHXMQLCG-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.99
Rot. Bonds4

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

N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide (PubChem CID 31845243) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
PubChem CID31845243
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC NameN-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C20H21F3N2O3S/c1-13(2)24-29(27,28)17-7-3-5-15(12-17)19(26)25-10-4-6-14-11-16(20(21,22)23)8-9-18(14)25/h3,5,7-9,11-13,24H,4,6,10H2,1-2H3
InChIKeyZUWKTLXHXMQLCG-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-N-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31843707
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
4-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 31845700
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
CID 159659623
2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55670463
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide (CID 31845243) is N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide?
The InChIKey is ZUWKTLXHXMQLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-13(2)24-29(27,28)17-7-3-5-15(12-17)19(26)25-10-4-6-14-11-16(20(21,22)23)8-9-18(14)25/h3,5,7-9,11-13,24H,4,6,10H2,1-2H3.
What are the key properties of N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide?
N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide has a molecular weight of 426.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 31845243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).