2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C12H17BrFNO3S — CID 71683262

IUPAC2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNO3S/c1-4-15(8-12(2,3)16)19(17,18)11-6-5-9(14)7-10(11)13/h5-7,16H,4,8H2,1-3H3
InChIKeyFEMLNLOUDVHTCB-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.37
Rot. Bonds5

About 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 71683262) has the molecular formula C12H17BrFNO3S and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID71683262
Molecular FormulaC12H17BrFNO3S
Molecular Weight354.24 g/mol
Exact Mass353.01
IUPAC Name2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNO3S/c1-4-15(8-12(2,3)16)19(17,18)11-6-5-9(14)7-10(11)13/h5-7,16H,4,8H2,1-3H3
InChIKeyFEMLNLOUDVHTCB-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 71683262) is 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is FEMLNLOUDVHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO3S/c1-4-15(8-12(2,3)16)19(17,18)11-6-5-9(14)7-10(11)13/h5-7,16H,4,8H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 354.24 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 71683262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).