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

C14H12Cl2FNO2S — CID 2986088

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-21(19,20)18(14-8-3-2-5-12(14)16)9-10-11(15)6-4-7-13(10)17/h2-8H,9H2,1H3
InChIKeyUOZRBZKZILXAQD-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.10
Rot. Bonds4

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide (PubChem CID 2986088) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide
PubChem CID2986088
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-21(19,20)18(14-8-3-2-5-12(14)16)9-10-11(15)6-4-7-13(10)17/h2-8H,9H2,1H3
InChIKeyUOZRBZKZILXAQD-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide (CID 2986088) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide is CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
The InChIKey is UOZRBZKZILXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c1-21(19,20)18(14-8-3-2-5-12(14)16)9-10-11(15)6-4-7-13(10)17/h2-8H,9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide has a molecular weight of 348.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 2986088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).