(2,3-difluorophenyl)-fluoromethanesulfonamide

C7H6F3NO2S — CID 90425501

IUPAC(2,3-difluorophenyl)-fluoromethanesulfonamide
SMILESNS(=O)(=O)C(F)c1cccc(F)c1F
InChIInChI=1S/C7H6F3NO2S/c8-5-3-1-2-4(6(5)9)7(10)14(11,12)13/h1-3,7H,(H2,11,12,13)
InChIKeyMPTHKUMLFSRISC-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.22
Rot. Bonds2

About (2,3-difluorophenyl)-fluoromethanesulfonamide

(2,3-difluorophenyl)-fluoromethanesulfonamide (PubChem CID 90425501) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is (2,3-difluorophenyl)-fluoromethanesulfonamide.

Molecular Properties

Compound Name(2,3-difluorophenyl)-fluoromethanesulfonamide
PubChem CID90425501
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name(2,3-difluorophenyl)-fluoromethanesulfonamide
SMILESNS(=O)(=O)C(F)c1cccc(F)c1F
InChIInChI=1S/C7H6F3NO2S/c8-5-3-1-2-4(6(5)9)7(10)14(11,12)13/h1-3,7H,(H2,11,12,13)
InChIKeyMPTHKUMLFSRISC-UHFFFAOYSA-N
XLogP1.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-fluoromethanesulfonamide?
The IUPAC name of (2,3-difluorophenyl)-fluoromethanesulfonamide (CID 90425501) is (2,3-difluorophenyl)-fluoromethanesulfonamide.
What is the SMILES notation for (2,3-difluorophenyl)-fluoromethanesulfonamide?
The canonical SMILES for (2,3-difluorophenyl)-fluoromethanesulfonamide is NS(=O)(=O)C(F)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-fluoromethanesulfonamide?
The InChIKey is MPTHKUMLFSRISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-5-3-1-2-4(6(5)9)7(10)14(11,12)13/h1-3,7H,(H2,11,12,13).
What are the key properties of (2,3-difluorophenyl)-fluoromethanesulfonamide?
(2,3-difluorophenyl)-fluoromethanesulfonamide has a molecular weight of 225.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-fluoromethanesulfonamide is sourced from PubChem (CID 90425501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).