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

C11H12BrF2NO3S — CID 60824542

IUPAC2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H12BrF2NO3S/c12-9-5-7(13)6-10(14)11(9)19(16,17)15-8-1-3-18-4-2-8/h5-6,8,15H,1-4H2
InChIKeyPGVINSLNGKZGOE-UHFFFAOYSA-N
MW356.19 g/mol
LogP2.18
Rot. Bonds3

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

2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 60824542) has the molecular formula C11H12BrF2NO3S and a molecular weight of 356.19 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
PubChem CID60824542
Molecular FormulaC11H12BrF2NO3S
Molecular Weight356.19 g/mol
Exact Mass354.97
IUPAC Name2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H12BrF2NO3S/c12-9-5-7(13)6-10(14)11(9)19(16,17)15-8-1-3-18-4-2-8/h5-6,8,15H,1-4H2
InChIKeyPGVINSLNGKZGOE-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide (CID 60824542) is 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOCC1)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is PGVINSLNGKZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO3S/c12-9-5-7(13)6-10(14)11(9)19(16,17)15-8-1-3-18-4-2-8/h5-6,8,15H,1-4H2.
What are the key properties of 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 356.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 60824542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).