4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride

C8H8ClF2NO2S — CID 139490925

IUPAC4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride
SMILESCN(C)c1cc(F)c(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H8ClF2NO2S/c1-12(2)5-3-6(10)8(7(11)4-5)15(9,13)14/h3-4H,1-2H3
InChIKeyDTZKJVCQDJJQGT-UHFFFAOYSA-N
MW255.67 g/mol
LogP1.96
Rot. Bonds2

About 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride

4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride (PubChem CID 139490925) has the molecular formula C8H8ClF2NO2S and a molecular weight of 255.67 g/mol. Its IUPAC name is 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride
PubChem CID139490925
Molecular FormulaC8H8ClF2NO2S
Molecular Weight255.67 g/mol
Exact Mass254.99
IUPAC Name4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride
SMILESCN(C)c1cc(F)c(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H8ClF2NO2S/c1-12(2)5-3-6(10)8(7(11)4-5)15(9,13)14/h3-4H,1-2H3
InChIKeyDTZKJVCQDJJQGT-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride (CID 139490925) is 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride is CN(C)c1cc(F)c(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride?
The InChIKey is DTZKJVCQDJJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2S/c1-12(2)5-3-6(10)8(7(11)4-5)15(9,13)14/h3-4H,1-2H3.
What are the key properties of 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride?
4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride has a molecular weight of 255.67 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,6-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 139490925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).