N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

C23H21F3N2O2S — CID 59778187

IUPACN-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H21F3N2O2S/c24-23(25,26)19-12-11-18-13-20(27-31(29,30)21-9-5-2-6-10-21)16-28(22(18)14-19)15-17-7-3-1-4-8-17/h1-12,14,20,27H,13,15-16H2
InChIKeyGQTVXJVBIAVWDO-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.62
Rot. Bonds5

About N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (PubChem CID 59778187) has the molecular formula C23H21F3N2O2S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
PubChem CID59778187
Molecular FormulaC23H21F3N2O2S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC NameN-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H21F3N2O2S/c24-23(25,26)19-12-11-18-13-20(27-31(29,30)21-9-5-2-6-10-21)16-28(22(18)14-19)15-17-7-3-1-4-8-17/h1-12,14,20,27H,13,15-16H2
InChIKeyGQTVXJVBIAVWDO-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (CID 59778187) is N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is O=S(=O)(NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The InChIKey is GQTVXJVBIAVWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2S/c24-23(25,26)19-12-11-18-13-20(27-31(29,30)21-9-5-2-6-10-21)16-28(22(18)14-19)15-17-7-3-1-4-8-17/h1-12,14,20,27H,13,15-16H2.
What are the key properties of N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide has a molecular weight of 446.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 59778187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).