2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide

C14H12BrF2NO4S2 — CID 26267572

IUPAC2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO4S2/c1-8-3-4-10(23(2,19)20)7-13(8)18-24(21,22)14-11(15)5-9(16)6-12(14)17/h3-7,18H,1-2H3
InChIKeyHBPHJRKGSCJFCL-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide (PubChem CID 26267572) has the molecular formula C14H12BrF2NO4S2 and a molecular weight of 440.29 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
PubChem CID26267572
Molecular FormulaC14H12BrF2NO4S2
Molecular Weight440.29 g/mol
Exact Mass438.94
IUPAC Name2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO4S2/c1-8-3-4-10(23(2,19)20)7-13(8)18-24(21,22)14-11(15)5-9(16)6-12(14)17/h3-7,18H,1-2H3
InChIKeyHBPHJRKGSCJFCL-UHFFFAOYSA-N
XLogP3.24
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide (CID 26267572) is 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
The InChIKey is HBPHJRKGSCJFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO4S2/c1-8-3-4-10(23(2,19)20)7-13(8)18-24(21,22)14-11(15)5-9(16)6-12(14)17/h3-7,18H,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide has a molecular weight of 440.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 26267572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).