(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide

C8H8F3NO3S — CID 174833873

IUPAC(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
SMILESCOc1c(F)ccc(C(F)S(N)(=O)=O)c1F
InChIInChI=1S/C8H8F3NO3S/c1-15-7-5(9)3-2-4(6(7)10)8(11)16(12,13)14/h2-3,8H,1H3,(H2,12,13,14)
InChIKeyUNZXYWAUPJRJDN-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.23
Rot. Bonds3

About (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide

(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide (PubChem CID 174833873) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide.

Molecular Properties

Compound Name(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
PubChem CID174833873
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
SMILESCOc1c(F)ccc(C(F)S(N)(=O)=O)c1F
InChIInChI=1S/C8H8F3NO3S/c1-15-7-5(9)3-2-4(6(7)10)8(11)16(12,13)14/h2-3,8H,1H3,(H2,12,13,14)
InChIKeyUNZXYWAUPJRJDN-UHFFFAOYSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
The IUPAC name of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide (CID 174833873) is (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide.
What is the SMILES notation for (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
The canonical SMILES for (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide is COc1c(F)ccc(C(F)S(N)(=O)=O)c1F.
What is the InChIKey of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
The InChIKey is UNZXYWAUPJRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-15-7-5(9)3-2-4(6(7)10)8(11)16(12,13)14/h2-3,8H,1H3,(H2,12,13,14).
What are the key properties of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide is sourced from PubChem (CID 174833873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).