4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide

C14H13BrFNO2S — CID 97161968

IUPAC4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO2S/c1-2-10-5-3-4-6-14(10)17-20(18,19)11-7-8-12(15)13(16)9-11/h3-9,17H,2H2,1H3
InChIKeyXLTXKNDAQNWCPI-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.95
Rot. Bonds4

About 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 97161968) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
PubChem CID97161968
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO2S/c1-2-10-5-3-4-6-14(10)17-20(18,19)11-7-8-12(15)13(16)9-11/h3-9,17H,2H2,1H3
InChIKeyXLTXKNDAQNWCPI-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

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Related Compounds

4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide (CID 97161968) is 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is XLTXKNDAQNWCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-2-10-5-3-4-6-14(10)17-20(18,19)11-7-8-12(15)13(16)9-11/h3-9,17H,2H2,1H3.
What are the key properties of 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2-ethylphenyl)-3-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 4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 97161968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).