N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

C22H24N2O2S — CID 10249222

IUPACN-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(C)c2ccccc2)c1
InChIInChI=1S/C22H24N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16,18H,3,17H2,1-2H3
InChIKeyCLFOEABOGBHCIT-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.59
Rot. Bonds7

About N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 10249222) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID10249222
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(C)c2ccccc2)c1
InChIInChI=1S/C22H24N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16,18H,3,17H2,1-2H3
InChIKeyCLFOEABOGBHCIT-UHFFFAOYSA-N
XLogP4.59
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 10249222) is N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(C)c2ccccc2)c1.
What is the InChIKey of N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is CLFOEABOGBHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16,18H,3,17H2,1-2H3.
What are the key properties of N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 10249222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).