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

C16H17ClFNO2S — CID 967625

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H17ClFNO2S/c1-11-7-8-16(12(2)9-11)19(22(3,20)21)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3
InChIKeyMJYBENKZIWRDSD-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.06
Rot. Bonds4

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide (PubChem CID 967625) has the molecular formula C16H17ClFNO2S and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
PubChem CID967625
Molecular FormulaC16H17ClFNO2S
Molecular Weight341.84 g/mol
Exact Mass341.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H17ClFNO2S/c1-11-7-8-16(12(2)9-11)19(22(3,20)21)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3
InChIKeyMJYBENKZIWRDSD-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.06
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-(2,4-dimethylphenyl)methanesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide (CID 967625) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide is Cc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
The InChIKey is MJYBENKZIWRDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2S/c1-11-7-8-16(12(2)9-11)19(22(3,20)21)10-13-14(17)5-4-6-15(13)18/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide has a molecular weight of 341.84 g/mol, XLogP of 4.06, 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-(2,4-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 967625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).