2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C11H15F2NO5S2 — CID 105117594

IUPAC2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CO)cc(F)c1F
InChIInChI=1S/C11H15F2NO5S2/c1-14(3-4-20(2,16)17)21(18,19)10-6-8(7-15)5-9(12)11(10)13/h5-6,15H,3-4,7H2,1-2H3
InChIKeyBSWVBLNGXVJRKB-UHFFFAOYSA-N
MW343.37 g/mol
LogP0.12
Rot. Bonds6

About 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 105117594) has the molecular formula C11H15F2NO5S2 and a molecular weight of 343.37 g/mol. Its IUPAC name is 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID105117594
Molecular FormulaC11H15F2NO5S2
Molecular Weight343.37 g/mol
Exact Mass343.04
IUPAC Name2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CO)cc(F)c1F
InChIInChI=1S/C11H15F2NO5S2/c1-14(3-4-20(2,16)17)21(18,19)10-6-8(7-15)5-9(12)11(10)13/h5-6,15H,3-4,7H2,1-2H3
InChIKeyBSWVBLNGXVJRKB-UHFFFAOYSA-N
XLogP0.12
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 105116983
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
5-(chloromethyl)-2,3-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 105118487
2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 105116996
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
2-bromo-5-(chloromethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 114363680
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
CID 79864357

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 105117594) is 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CO)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is BSWVBLNGXVJRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO5S2/c1-14(3-4-20(2,16)17)21(18,19)10-6-8(7-15)5-9(12)11(10)13/h5-6,15H,3-4,7H2,1-2H3.
What are the key properties of 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 105117594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).