methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate

C16H15F2NO4S — CID 23000564

IUPACmethyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate
SMILESCOC(=O)Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1F
InChIInChI=1S/C16H15F2NO4S/c1-23-15(20)9-12-13(17)7-8-14(16(12)18)19-24(21,22)10-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3
InChIKeyNAJKYKUVOYHFDZ-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.62
Rot. Bonds6

About methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate

methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate (PubChem CID 23000564) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate
PubChem CID23000564
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Namemethyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate
SMILESCOC(=O)Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1F
InChIInChI=1S/C16H15F2NO4S/c1-23-15(20)9-12-13(17)7-8-14(16(12)18)19-24(21,22)10-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3
InChIKeyNAJKYKUVOYHFDZ-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate?
The IUPAC name of methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate (CID 23000564) is methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate.
What is the SMILES notation for methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate?
The canonical SMILES for methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate is COC(=O)Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1F.
What is the InChIKey of methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate?
The InChIKey is NAJKYKUVOYHFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-23-15(20)9-12-13(17)7-8-14(16(12)18)19-24(21,22)10-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3.
What are the key properties of methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate?
methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate has a molecular weight of 355.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate is sourced from PubChem (CID 23000564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).