2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide

C14H12BrF2NO2S — CID 61073267

IUPAC2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C14H12BrF2NO2S/c1-9(11-4-2-3-5-13(11)17)18-21(19,20)14-7-6-10(16)8-12(14)15/h2-9,18H,1H3
InChIKeyVYCANMFRMNWFDQ-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.77
Rot. Bonds4

About 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide

2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 61073267) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID61073267
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C14H12BrF2NO2S/c1-9(11-4-2-3-5-13(11)17)18-21(19,20)14-7-6-10(16)8-12(14)15/h2-9,18H,1H3
InChIKeyVYCANMFRMNWFDQ-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 61073267) is 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1Br)c1ccccc1F.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is VYCANMFRMNWFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-9(11-4-2-3-5-13(11)17)18-21(19,20)14-7-6-10(16)8-12(14)15/h2-9,18H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61073267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).