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

C14H12BrF2NO2S — CID 44601977

IUPAC2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO2S/c15-13-9-12(17)5-6-14(13)21(19,20)18-8-7-10-1-3-11(16)4-2-10/h1-6,9,18H,7-8H2
InChIKeyDFHWTHNYXHWBNV-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.25
Rot. Bonds5

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

2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 44601977) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID44601977
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C14H12BrF2NO2S/c15-13-9-12(17)5-6-14(13)21(19,20)18-8-7-10-1-3-11(16)4-2-10/h1-6,9,18H,7-8H2
InChIKeyDFHWTHNYXHWBNV-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-phenylpropyl)benzenesulfonamide
CID 2165962
4-bromo-N-(2-phenylethyl)benzenesulfonamide
CID 795722
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
2-bromo-N-phenethylbenzenesulfonamide
CID 3740348
2-Bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 4825019
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 7510293
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 42628501
2-bromo-N-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 44825362
N-benzyl-2-bromobenzenesulfonamide
CID 7938012
N-Benzyl-4-bromobenzenesulfonamide
CID 571651
N-benzyl-2,5-dibromobenzenesulfonamide
CID 7749529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (CID 44601977) is 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(F)cc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is DFHWTHNYXHWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c15-13-9-12(17)5-6-14(13)21(19,20)18-8-7-10-1-3-11(16)4-2-10/h1-6,9,18H,7-8H2.
What are the key properties of 2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 3.25, 5 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-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 44601977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).