N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide

C14H13BrFNO2S — CID 80974925

IUPACN-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H13BrFNO2S/c1-2-10-9-11(15)7-8-13(10)17-20(18,19)14-6-4-3-5-12(14)16/h3-9,17H,2H2,1H3
InChIKeyGKJIMIYOIKYOLW-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.95
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide

N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 80974925) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
PubChem CID80974925
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H13BrFNO2S/c1-2-10-9-11(15)7-8-13(10)17-20(18,19)14-6-4-3-5-12(14)16/h3-9,17H,2H2,1H3
InChIKeyGKJIMIYOIKYOLW-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
CID 81289719
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
5-bromo-2-[(2-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82694314
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide (CID 80974925) is N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is GKJIMIYOIKYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-2-10-9-11(15)7-8-13(10)17-20(18,19)14-6-4-3-5-12(14)16/h3-9,17H,2H2,1H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide?
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 80974925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).