N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide

C24H22N2O2S — CID 2134172

IUPACN-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C24H22N2O2S/c1-3-29(27,28)26-20-11-7-10-19(15-20)24-16-21(18-8-5-4-6-9-18)22-14-17(2)12-13-23(22)25-24/h4-16,26H,3H2,1-2H3
InChIKeyAOPLPDRYCIKPJN-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.64
Rot. Bonds5

About N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide

N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide (PubChem CID 2134172) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide
PubChem CID2134172
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C24H22N2O2S/c1-3-29(27,28)26-20-11-7-10-19(15-20)24-16-21(18-8-5-4-6-9-18)22-14-17(2)12-13-23(22)25-24/h4-16,26H,3H2,1-2H3
InChIKeyAOPLPDRYCIKPJN-UHFFFAOYSA-N
XLogP5.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide (CID 2134172) is N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)c1.
What is the InChIKey of N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide?
The InChIKey is AOPLPDRYCIKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-3-29(27,28)26-20-11-7-10-19(15-20)24-16-21(18-8-5-4-6-9-18)22-14-17(2)12-13-23(22)25-24/h4-16,26H,3H2,1-2H3.
What are the key properties of N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide?
N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 2134172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).