2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H11Cl2F2NO2S — CID 24679077

IUPAC2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-19(8-9-5-6-12(17)13(18)7-9)22(20,21)14-10(15)3-2-4-11(14)16/h2-7H,8H2,1H3
InChIKeyRIYBOGOWSOYEAS-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.09
Rot. Bonds4

About 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 24679077) has the molecular formula C14H11Cl2F2NO2S and a molecular weight of 366.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID24679077
Molecular FormulaC14H11Cl2F2NO2S
Molecular Weight366.22 g/mol
Exact Mass364.99
IUPAC Name2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-19(8-9-5-6-12(17)13(18)7-9)22(20,21)14-10(15)3-2-4-11(14)16/h2-7H,8H2,1H3
InChIKeyRIYBOGOWSOYEAS-UHFFFAOYSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 24679077) is 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is RIYBOGOWSOYEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO2S/c1-19(8-9-5-6-12(17)13(18)7-9)22(20,21)14-10(15)3-2-4-11(14)16/h2-7H,8H2,1H3.
What are the key properties of 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 366.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 24679077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).