2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C10H13BrFNO3S — CID 54878687

IUPAC2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO3S/c1-2-13(5-6-14)17(15,16)10-4-3-8(12)7-9(10)11/h3-4,7,14H,2,5-6H2,1H3
InChIKeyVPDNSVMXPFAHPD-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.59
Rot. Bonds5

About 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54878687) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54878687
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC Name2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO3S/c1-2-13(5-6-14)17(15,16)10-4-3-8(12)7-9(10)11/h3-4,7,14H,2,5-6H2,1H3
InChIKeyVPDNSVMXPFAHPD-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 54878687) is 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is VPDNSVMXPFAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-2-13(5-6-14)17(15,16)10-4-3-8(12)7-9(10)11/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2-bromo-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 326.19 g/mol, XLogP of 1.59, 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-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54878687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).