2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

C14H18BrNO2S — CID 7510293

IUPAC2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1ccccc1Br
InChIInChI=1S/C14H18BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2
InChIKeyCJAQBLNWCYGASJ-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.62
Rot. Bonds5

About 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (PubChem CID 7510293) has the molecular formula C14H18BrNO2S and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
PubChem CID7510293
Molecular FormulaC14H18BrNO2S
Molecular Weight344.27 g/mol
Exact Mass343.02
IUPAC Name2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1ccccc1Br
InChIInChI=1S/C14H18BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2
InChIKeyCJAQBLNWCYGASJ-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (CID 7510293) is 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1=CCCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The InChIKey is CJAQBLNWCYGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2.
What are the key properties of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide has a molecular weight of 344.27 g/mol, XLogP of 3.62, 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-(cyclohexen-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7510293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).