4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide

C13H15BrFNO2S — CID 103844649

IUPAC4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8H2
InChIKeyGDOVPUJYAUKGEL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.37
Rot. Bonds5

About 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide

4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 103844649) has the molecular formula C13H15BrFNO2S and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID103844649
Molecular FormulaC13H15BrFNO2S
Molecular Weight348.24 g/mol
Exact Mass347.00
IUPAC Name4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8H2
InChIKeyGDOVPUJYAUKGEL-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
CID 106174188
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-fluorobenzenesulfonamide
CID 116528282
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 106164718
4-bromo-3-[2-(cyclopenten-1-yl)ethylsulfamoyl]benzoic acid
CID 106168036
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide (CID 103844649) is 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCCC1=CCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is GDOVPUJYAUKGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8H2.
What are the key properties of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide?
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 348.24 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103844649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).