2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H12BrF2NO4S2 — CID 79864715

IUPAC2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO4S2/c1-14(3-4-19(2,15)16)20(17,18)10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeySVGIADLLPIVLTR-UHFFFAOYSA-N
MW392.24 g/mol
LogP1.39
Rot. Bonds5

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

2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79864715) has the molecular formula C10H12BrF2NO4S2 and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79864715
Molecular FormulaC10H12BrF2NO4S2
Molecular Weight392.24 g/mol
Exact Mass390.94
IUPAC Name2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO4S2/c1-14(3-4-19(2,15)16)20(17,18)10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeySVGIADLLPIVLTR-UHFFFAOYSA-N
XLogP1.39
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79864715) is 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is SVGIADLLPIVLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO4S2/c1-14(3-4-19(2,15)16)20(17,18)10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 392.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79864715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).