2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

C10H12BrF2NO3S — CID 58457205

IUPAC2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(F)c(F)cc1Br
InChIInChI=1S/C10H12BrF2NO3S/c1-2-14(3-4-15)18(16,17)10-6-9(13)8(12)5-7(10)11/h5-6,15H,2-4H2,1H3
InChIKeyMGYMDYYYHOPYMS-UHFFFAOYSA-N
MW344.18 g/mol
LogP1.73
Rot. Bonds5

About 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 58457205) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID58457205
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC Name2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(F)c(F)cc1Br
InChIInChI=1S/C10H12BrF2NO3S/c1-2-14(3-4-15)18(16,17)10-6-9(13)8(12)5-7(10)11/h5-6,15H,2-4H2,1H3
InChIKeyMGYMDYYYHOPYMS-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 58457205) is 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1cc(F)c(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is MGYMDYYYHOPYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c1-2-14(3-4-15)18(16,17)10-6-9(13)8(12)5-7(10)11/h5-6,15H,2-4H2,1H3.
What are the key properties of 2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2-bromo-N-ethyl-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 344.18 g/mol, XLogP of 1.73, 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-4,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 58457205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).