1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide

C8H10F2N2O2S — CID 43604018

IUPAC1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
SMILESCNc1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H10F2N2O2S/c1-11-6-2-4-7(5-3-6)12-15(13,14)8(9)10/h2-5,8,11-12H,1H3
InChIKeyWDYALMHSDVGDMA-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.69
Rot. Bonds4

About 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide

1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide (PubChem CID 43604018) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
PubChem CID43604018
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
SMILESCNc1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H10F2N2O2S/c1-11-6-2-4-7(5-3-6)12-15(13,14)8(9)10/h2-5,8,11-12H,1H3
InChIKeyWDYALMHSDVGDMA-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide (CID 43604018) is 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide is CNc1ccc(NS(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide?
The InChIKey is WDYALMHSDVGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-11-6-2-4-7(5-3-6)12-15(13,14)8(9)10/h2-5,8,11-12H,1H3.
What are the key properties of 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide?
1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43604018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).