4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide

C14H12BrF2NO2S — CID 103697234

IUPAC4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrF2NO2S/c1-2-18(11-5-3-10(16)4-6-11)21(19,20)12-7-8-13(15)14(17)9-12/h3-9H,2H2,1H3
InChIKeyIREYKZTXSYCGAQ-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.94
Rot. Bonds4

About 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide

4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 103697234) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID103697234
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrF2NO2S/c1-2-18(11-5-3-10(16)4-6-11)21(19,20)12-7-8-13(15)14(17)9-12/h3-9H,2H2,1H3
InChIKeyIREYKZTXSYCGAQ-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63420834
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
CID 62159440
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
N-ethyl-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
CID 165069778
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide (CID 103697234) is 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is IREYKZTXSYCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-2-18(11-5-3-10(16)4-6-11)21(19,20)12-7-8-13(15)14(17)9-12/h3-9H,2H2,1H3.
What are the key properties of 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 103697234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).