2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H12BrF2NO3S — CID 43501840

IUPAC2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO3S/c1-10(2,5-15)14-18(16,17)9-7(11)3-6(12)4-8(9)13/h3-4,14-15H,5H2,1-2H3
InChIKeyULYXFIWHQZXNPY-UHFFFAOYSA-N
MW344.18 g/mol
LogP1.78
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 43501840) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID43501840
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC Name2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO3S/c1-10(2,5-15)14-18(16,17)9-7(11)3-6(12)4-8(9)13/h3-4,14-15H,5H2,1-2H3
InChIKeyULYXFIWHQZXNPY-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 43501840) is 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is ULYXFIWHQZXNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c1-10(2,5-15)14-18(16,17)9-7(11)3-6(12)4-8(9)13/h3-4,14-15H,5H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 344.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43501840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).