N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide

C15H12ClFN2O2S — CID 60522649

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C15H12ClFN2O2S/c1-22(20,21)19(12-7-5-11(9-18)6-8-12)10-13-14(16)3-2-4-15(13)17/h2-8H,10H2,1H3
InChIKeyCLYVILIJIYLVTR-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.32
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide (PubChem CID 60522649) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide
PubChem CID60522649
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C15H12ClFN2O2S/c1-22(20,21)19(12-7-5-11(9-18)6-8-12)10-13-14(16)3-2-4-15(13)17/h2-8H,10H2,1H3
InChIKeyCLYVILIJIYLVTR-UHFFFAOYSA-N
XLogP3.32
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide (CID 60522649) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide is CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide?
The InChIKey is CLYVILIJIYLVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c1-22(20,21)19(12-7-5-11(9-18)6-8-12)10-13-14(16)3-2-4-15(13)17/h2-8H,10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide has a molecular weight of 338.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 60522649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).