1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H24N2O3S — CID 17247792

IUPAC1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C24H24N2O3S/c27-24(20-10-5-2-6-11-20)26-17-7-12-21-18-22(13-14-23(21)26)30(28,29)25-16-15-19-8-3-1-4-9-19/h1-6,8-11,13-14,18,25H,7,12,15-17H2
InChIKeyOBIDBWLRCJREQN-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.80
Rot. Bonds6

About 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17247792) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17247792
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C24H24N2O3S/c27-24(20-10-5-2-6-11-20)26-17-7-12-21-18-22(13-14-23(21)26)30(28,29)25-16-15-19-8-3-1-4-9-19/h1-6,8-11,13-14,18,25H,7,12,15-17H2
InChIKeyOBIDBWLRCJREQN-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247846
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248191
1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247963
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17247792) is 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21.
What is the InChIKey of 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is OBIDBWLRCJREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-24(20-10-5-2-6-11-20)26-17-7-12-21-18-22(13-14-23(21)26)30(28,29)25-16-15-19-8-3-1-4-9-19/h1-6,8-11,13-14,18,25H,7,12,15-17H2.
What are the key properties of 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 420.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17247792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).