1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide

C9H11F2NO2S — CID 126637013

IUPAC1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2NO2S/c1-12-15(13,14)6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyDLFZLBRNHOWGNK-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.67
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide

1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 126637013) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID126637013
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2NO2S/c1-12-15(13,14)6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyDLFZLBRNHOWGNK-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide (CID 126637013) is 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is DLFZLBRNHOWGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-12-15(13,14)6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 235.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 126637013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).