2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H13F2NO5S2 — CID 166188133

IUPAC2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCCS(C)(=O)=O)c(F)c1
InChIInChI=1S/C10H13F2NO5S2/c1-18-7-5-8(11)10(9(12)6-7)20(16,17)13-3-4-19(2,14)15/h5-6,13H,3-4H2,1-2H3
InChIKeyHMAQZJXGPULMTB-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.30
Rot. Bonds6

About 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide

2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 166188133) has the molecular formula C10H13F2NO5S2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID166188133
Molecular FormulaC10H13F2NO5S2
Molecular Weight329.35 g/mol
Exact Mass329.02
IUPAC Name2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCCS(C)(=O)=O)c(F)c1
InChIInChI=1S/C10H13F2NO5S2/c1-18-7-5-8(11)10(9(12)6-7)20(16,17)13-3-4-19(2,14)15/h5-6,13H,3-4H2,1-2H3
InChIKeyHMAQZJXGPULMTB-UHFFFAOYSA-N
XLogP0.30
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 166188133) is 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCCS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is HMAQZJXGPULMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO5S2/c1-18-7-5-8(11)10(9(12)6-7)20(16,17)13-3-4-19(2,14)15/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide?
2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 329.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 166188133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).