1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide

C8H12BrNO2S — CID 86223712

IUPAC1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide
SMILESC=C(Br)S(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C8H12BrNO2S/c1-7(9)13(11,12)10-8-5-3-2-4-6-8/h3,5,8,10H,1-2,4,6H2
InChIKeyXSZHHYVXFWBKIE-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.88
Rot. Bonds3

About 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide

1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide (PubChem CID 86223712) has the molecular formula C8H12BrNO2S and a molecular weight of 266.16 g/mol. Its IUPAC name is 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide.

Molecular Properties

Compound Name1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide
PubChem CID86223712
Molecular FormulaC8H12BrNO2S
Molecular Weight266.16 g/mol
Exact Mass264.98
IUPAC Name1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide
SMILESC=C(Br)S(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C8H12BrNO2S/c1-7(9)13(11,12)10-8-5-3-2-4-6-8/h3,5,8,10H,1-2,4,6H2
InChIKeyXSZHHYVXFWBKIE-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 51.88
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 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide?
The IUPAC name of 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide (CID 86223712) is 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide.
What is the SMILES notation for 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide?
The canonical SMILES for 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide is C=C(Br)S(=O)(=O)NC1C=CCCC1.
What is the InChIKey of 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide?
The InChIKey is XSZHHYVXFWBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2S/c1-7(9)13(11,12)10-8-5-3-2-4-6-8/h3,5,8,10H,1-2,4,6H2.
What are the key properties of 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide?
1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide has a molecular weight of 266.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide is sourced from PubChem (CID 86223712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).