4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

C25H20ClFN2O2S — CID 46890725

IUPAC4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(F)c2)cc1)Cc1ccccn1
InChIInChI=1S/C25H20ClFN2O2S/c26-22-11-13-25(14-12-22)32(30,31)29(18-24-6-1-2-15-28-24)17-19-7-9-20(10-8-19)21-4-3-5-23(27)16-21/h1-16H,17-18H2
InChIKeyCOKFDTYKEAFHTN-UHFFFAOYSA-N
MW466.97 g/mol
LogP5.93
Rot. Bonds7

About 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 46890725) has the molecular formula C25H20ClFN2O2S and a molecular weight of 466.97 g/mol. Its IUPAC name is 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID46890725
Molecular FormulaC25H20ClFN2O2S
Molecular Weight466.97 g/mol
Exact Mass466.09
IUPAC Name4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(F)c2)cc1)Cc1ccccn1
InChIInChI=1S/C25H20ClFN2O2S/c26-22-11-13-25(14-12-22)32(30,31)29(18-24-6-1-2-15-28-24)17-19-7-9-20(10-8-19)21-4-3-5-23(27)16-21/h1-16H,17-18H2
InChIKeyCOKFDTYKEAFHTN-UHFFFAOYSA-N
XLogP5.93
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 46890725) is 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(F)c2)cc1)Cc1ccccn1.
What is the InChIKey of 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is COKFDTYKEAFHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O2S/c26-22-11-13-25(14-12-22)32(30,31)29(18-24-6-1-2-15-28-24)17-19-7-9-20(10-8-19)21-4-3-5-23(27)16-21/h1-16H,17-18H2.
What are the key properties of 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 466.97 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(3-fluorophenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 46890725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).