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

C12H14BrF2NO3S — CID 60822834

IUPAC2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H14BrF2NO3S/c1-16(9-2-4-19-5-3-9)20(17,18)12-10(13)6-8(14)7-11(12)15/h6-7,9H,2-5H2,1H3
InChIKeyHNSWVJLJEBPUAD-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.53
Rot. Bonds3

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

2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 60822834) has the molecular formula C12H14BrF2NO3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID60822834
Molecular FormulaC12H14BrF2NO3S
Molecular Weight370.22 g/mol
Exact Mass368.98
IUPAC Name2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H14BrF2NO3S/c1-16(9-2-4-19-5-3-9)20(17,18)12-10(13)6-8(14)7-11(12)15/h6-7,9H,2-5H2,1H3
InChIKeyHNSWVJLJEBPUAD-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 60822834) is 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide is CN(C1CCOCC1)S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is HNSWVJLJEBPUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO3S/c1-16(9-2-4-19-5-3-9)20(17,18)12-10(13)6-8(14)7-11(12)15/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 60822834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).