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

C31H29FN2O2S — CID 52932431

IUPAC6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESC=C(c1ccccc1)C1Cc2cc(-c3ccc(F)cc3)ccc2N(S(=O)(=O)NCCc2ccccc2)C1
InChIInChI=1S/C31H29FN2O2S/c1-23(25-10-6-3-7-11-25)29-21-28-20-27(26-12-15-30(32)16-13-26)14-17-31(28)34(22-29)37(35,36)33-19-18-24-8-4-2-5-9-24/h2-17,20,29,33H,1,18-19,21-22H2
InChIKeyWLRNMASDPUGZIH-UHFFFAOYSA-N
MW512.65 g/mol
LogP6.26
Rot. Bonds8

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

6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 52932431) has the molecular formula C31H29FN2O2S and a molecular weight of 512.65 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID52932431
Molecular FormulaC31H29FN2O2S
Molecular Weight512.65 g/mol
Exact Mass512.19
IUPAC Name6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESC=C(c1ccccc1)C1Cc2cc(-c3ccc(F)cc3)ccc2N(S(=O)(=O)NCCc2ccccc2)C1
InChIInChI=1S/C31H29FN2O2S/c1-23(25-10-6-3-7-11-25)29-21-28-20-27(26-12-15-30(32)16-13-26)14-17-31(28)34(22-29)37(35,36)33-19-18-24-8-4-2-5-9-24/h2-17,20,29,33H,1,18-19,21-22H2
InChIKeyWLRNMASDPUGZIH-UHFFFAOYSA-N
XLogP6.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 52932431) is 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is C=C(c1ccccc1)C1Cc2cc(-c3ccc(F)cc3)ccc2N(S(=O)(=O)NCCc2ccccc2)C1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is WLRNMASDPUGZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN2O2S/c1-23(25-10-6-3-7-11-25)29-21-28-20-27(26-12-15-30(32)16-13-26)14-17-31(28)34(22-29)37(35,36)33-19-18-24-8-4-2-5-9-24/h2-17,20,29,33H,1,18-19,21-22H2.
What are the key properties of 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 512.65 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(1-phenylethenyl)-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 52932431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).