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

C14H13BrFNO2S — CID 9300997

IUPAC2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H13BrFNO2S/c15-12-6-2-4-8-14(12)20(18,19)17-10-9-11-5-1-3-7-13(11)16/h1-8,17H,9-10H2
InChIKeyQHDJWWCKLZFOAZ-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.11
Rot. Bonds5

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

2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 9300997) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID9300997
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H13BrFNO2S/c15-12-6-2-4-8-14(12)20(18,19)17-10-9-11-5-1-3-7-13(11)16/h1-8,17H,9-10H2
InChIKeyQHDJWWCKLZFOAZ-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 43256455
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
2-bromo-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4982675
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531239
2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 5181856
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 9300997) is 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccccc1F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is QHDJWWCKLZFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c15-12-6-2-4-8-14(12)20(18,19)17-10-9-11-5-1-3-7-13(11)16/h1-8,17H,9-10H2.
What are the key properties of 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9300997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).