3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide

C16H23NO3S — CID 114620297

IUPAC3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
SMILESCC(C)(C)c1cc(S(N)(=O)=O)ccc1OC1C=CCCC1
InChIInChI=1S/C16H23NO3S/c1-16(2,3)14-11-13(21(17,18)19)9-10-15(14)20-12-7-5-4-6-8-12/h5,7,9-12H,4,6,8H2,1-3H3,(H2,17,18,19)
InChIKeyJUEUBSLBTWVGLE-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.12
Rot. Bonds3

About 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide

3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide (PubChem CID 114620297) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
PubChem CID114620297
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
SMILESCC(C)(C)c1cc(S(N)(=O)=O)ccc1OC1C=CCCC1
InChIInChI=1S/C16H23NO3S/c1-16(2,3)14-11-13(21(17,18)19)9-10-15(14)20-12-7-5-4-6-8-12/h5,7,9-12H,4,6,8H2,1-3H3,(H2,17,18,19)
InChIKeyJUEUBSLBTWVGLE-UHFFFAOYSA-N
XLogP3.12
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide?
The IUPAC name of 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide (CID 114620297) is 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide is CC(C)(C)c1cc(S(N)(=O)=O)ccc1OC1C=CCCC1.
What is the InChIKey of 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide?
The InChIKey is JUEUBSLBTWVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-16(2,3)14-11-13(21(17,18)19)9-10-15(14)20-12-7-5-4-6-8-12/h5,7,9-12H,4,6,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide?
3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide is sourced from PubChem (CID 114620297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).