N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide

C24H20N2O2S — CID 66714217

IUPACN-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(c1ccccc1)c1ccc(-c2cnccc2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c1-29(27,28)26(21-10-6-3-7-11-21)22-14-12-20(13-15-22)24-18-25-17-16-23(24)19-8-4-2-5-9-19/h2-18H,1H3
InChIKeyUWJWAZRKQMZVHJ-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.51
Rot. Bonds5

About N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide

N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide (PubChem CID 66714217) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide
PubChem CID66714217
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(c1ccccc1)c1ccc(-c2cnccc2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c1-29(27,28)26(21-10-6-3-7-11-21)22-14-12-20(13-15-22)24-18-25-17-16-23(24)19-8-4-2-5-9-19/h2-18H,1H3
InChIKeyUWJWAZRKQMZVHJ-UHFFFAOYSA-N
XLogP5.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide (CID 66714217) is N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide is CS(=O)(=O)N(c1ccccc1)c1ccc(-c2cnccc2-c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is UWJWAZRKQMZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-29(27,28)26(21-10-6-3-7-11-21)22-14-12-20(13-15-22)24-18-25-17-16-23(24)19-8-4-2-5-9-19/h2-18H,1H3.
What are the key properties of N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide?
N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenyl-3-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 66714217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).