2-pent-4-enylbenzenesulfonamide

C11H15NO2S — CID 153312111

IUPAC2-pent-4-enylbenzenesulfonamide
SMILESC=CCCCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-2-3-4-7-10-8-5-6-9-11(10)15(12,13)14/h2,5-6,8-9H,1,3-4,7H2,(H2,12,13,14)
InChIKeyPZYRPPJMGXUXAS-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.84
Rot. Bonds5

About 2-pent-4-enylbenzenesulfonamide

2-pent-4-enylbenzenesulfonamide (PubChem CID 153312111) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-pent-4-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-pent-4-enylbenzenesulfonamide
PubChem CID153312111
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-pent-4-enylbenzenesulfonamide
SMILESC=CCCCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-2-3-4-7-10-8-5-6-9-11(10)15(12,13)14/h2,5-6,8-9H,1,3-4,7H2,(H2,12,13,14)
InChIKeyPZYRPPJMGXUXAS-UHFFFAOYSA-N
XLogP1.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonylbenzenesulfonamide
CID 70447042
3-(2-sulfamoylphenyl)propane-1-sulfonic acid
CID 173385405
2-pent-4-enylaniline
CID 57134945
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
4-pent-4-enoxynaphthalene-1-sulfonamide
CID 82913570
2-prop-2-enoxybenzenesulfonamide
CID 13321757
2-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 142811447
2-benzylbenzenesulfonamide;methane
CID 175312349
1-hex-5-enyl-2-propylbenzene
CID 18786540
1-pent-4-enyl-2-prop-1-en-2-ylbenzene
CID 143278192

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enylbenzenesulfonamide?
The IUPAC name of 2-pent-4-enylbenzenesulfonamide (CID 153312111) is 2-pent-4-enylbenzenesulfonamide.
What is the SMILES notation for 2-pent-4-enylbenzenesulfonamide?
The canonical SMILES for 2-pent-4-enylbenzenesulfonamide is C=CCCCc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-pent-4-enylbenzenesulfonamide?
The InChIKey is PZYRPPJMGXUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-3-4-7-10-8-5-6-9-11(10)15(12,13)14/h2,5-6,8-9H,1,3-4,7H2,(H2,12,13,14).
What are the key properties of 2-pent-4-enylbenzenesulfonamide?
2-pent-4-enylbenzenesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enylbenzenesulfonamide is sourced from PubChem (CID 153312111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).