2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide

C11H14BrF2NO3S — CID 43574755

IUPAC2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2NO3S/c1-7(2)15(3-4-16)19(17,18)11-9(12)5-8(13)6-10(11)14/h5-7,16H,3-4H2,1-2H3
InChIKeyLCOJPWCXVIGVSE-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.12
Rot. Bonds5

About 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide

2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43574755) has the molecular formula C11H14BrF2NO3S and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID43574755
Molecular FormulaC11H14BrF2NO3S
Molecular Weight358.20 g/mol
Exact Mass356.98
IUPAC Name2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2NO3S/c1-7(2)15(3-4-16)19(17,18)11-9(12)5-8(13)6-10(11)14/h5-7,16H,3-4H2,1-2H3
InChIKeyLCOJPWCXVIGVSE-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.12
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-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 43574755) is 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LCOJPWCXVIGVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO3S/c1-7(2)15(3-4-16)19(17,18)11-9(12)5-8(13)6-10(11)14/h5-7,16H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 358.20 g/mol, XLogP of 2.12, 5 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-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43574755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).