N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide

C16H15F2NO6S2 — CID 10432205

IUPACN-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO6S2/c1-26(21,22)9-14(20)10-3-5-13(19-27(2,23)24)16(7-10)25-15-6-4-11(17)8-12(15)18/h3-8,19H,9H2,1-2H3
InChIKeyJRLXMBKEDZDXRS-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide

N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide (PubChem CID 10432205) has the molecular formula C16H15F2NO6S2 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide
PubChem CID10432205
Molecular FormulaC16H15F2NO6S2
Molecular Weight419.43 g/mol
Exact Mass419.03
IUPAC NameN-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO6S2/c1-26(21,22)9-14(20)10-3-5-13(19-27(2,23)24)16(7-10)25-15-6-4-11(17)8-12(15)18/h3-8,19H,9H2,1-2H3
InChIKeyJRLXMBKEDZDXRS-UHFFFAOYSA-N
XLogP2.36
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide (CID 10432205) is N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide is CS(=O)(=O)CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide?
The InChIKey is JRLXMBKEDZDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO6S2/c1-26(21,22)9-14(20)10-3-5-13(19-27(2,23)24)16(7-10)25-15-6-4-11(17)8-12(15)18/h3-8,19H,9H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide?
N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide has a molecular weight of 419.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfonylacetyl)phenyl]methanesulfonamide is sourced from PubChem (CID 10432205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).