4-(difluoromethylsulfonyl)-N-methylaniline

C8H9F2NO2S — CID 43455292

IUPAC4-(difluoromethylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H9F2NO2S/c1-11-6-2-4-7(5-3-6)14(12,13)8(9)10/h2-5,8,11H,1H3
InChIKeySLXSDGDZEDCFKN-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.72
Rot. Bonds3

About 4-(difluoromethylsulfonyl)-N-methylaniline

4-(difluoromethylsulfonyl)-N-methylaniline (PubChem CID 43455292) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-methylaniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-methylaniline
PubChem CID43455292
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC Name4-(difluoromethylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H9F2NO2S/c1-11-6-2-4-7(5-3-6)14(12,13)8(9)10/h2-5,8,11H,1H3
InChIKeySLXSDGDZEDCFKN-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-methylaniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-methylaniline (CID 43455292) is 4-(difluoromethylsulfonyl)-N-methylaniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-methylaniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-methylaniline is CNc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-methylaniline?
The InChIKey is SLXSDGDZEDCFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-11-6-2-4-7(5-3-6)14(12,13)8(9)10/h2-5,8,11H,1H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-methylaniline?
4-(difluoromethylsulfonyl)-N-methylaniline has a molecular weight of 221.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-methylaniline is sourced from PubChem (CID 43455292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).