4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide

C15H21NO3S — CID 114620295

IUPAC4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OC1C=CCCC1
InChIInChI=1S/C15H21NO3S/c1-11(2)14-10-13(20(16,17)18)8-9-15(14)19-12-6-4-3-5-7-12/h4,6,8-12H,3,5,7H2,1-2H3,(H2,16,17,18)
InChIKeyADYFVBVSLDQYIR-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.94
Rot. Bonds4

About 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide

4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide (PubChem CID 114620295) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
PubChem CID114620295
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OC1C=CCCC1
InChIInChI=1S/C15H21NO3S/c1-11(2)14-10-13(20(16,17)18)8-9-15(14)19-12-6-4-3-5-7-12/h4,6,8-12H,3,5,7H2,1-2H3,(H2,16,17,18)
InChIKeyADYFVBVSLDQYIR-UHFFFAOYSA-N
XLogP2.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
CID 114620297
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
CID 114619989
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide
CID 107135302
2-(2-propan-2-yl-4-sulfamoylphenoxy)propanamide
CID 82914671
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
CID 80695433
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
CID 61057154
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
N-[(4-cyclohex-2-en-1-yloxy-3-nitrophenyl)methyl]propan-2-amine
CID 114619650
4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82912697

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide (CID 114620295) is 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)ccc1OC1C=CCCC1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide?
The InChIKey is ADYFVBVSLDQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11(2)14-10-13(20(16,17)18)8-9-15(14)19-12-6-4-3-5-7-12/h4,6,8-12H,3,5,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide?
4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114620295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).