N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide

C16H17F2NO4S — CID 3449408

IUPACN-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2c(F)cccc2F)c1OC
InChIInChI=1S/C16H17F2NO4S/c1-22-14-8-3-5-11(15(14)23-2)9-10-19-24(20,21)16-12(17)6-4-7-13(16)18/h3-8,19H,9-10H2,1-2H3
InChIKeyJSRXQRIQUWFVHJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide

N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 3449408) has the molecular formula C16H17F2NO4S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
PubChem CID3449408
Molecular FormulaC16H17F2NO4S
Molecular Weight357.38 g/mol
Exact Mass357.08
IUPAC NameN-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2c(F)cccc2F)c1OC
InChIInChI=1S/C16H17F2NO4S/c1-22-14-8-3-5-11(15(14)23-2)9-10-19-24(20,21)16-12(17)6-4-7-13(16)18/h3-8,19H,9-10H2,1-2H3
InChIKeyJSRXQRIQUWFVHJ-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
CID 163403698
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
CID 9160272

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide (CID 3449408) is N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide is COc1cccc(CCNS(=O)(=O)c2c(F)cccc2F)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is JSRXQRIQUWFVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4S/c1-22-14-8-3-5-11(15(14)23-2)9-10-19-24(20,21)16-12(17)6-4-7-13(16)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide?
N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3449408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).