3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide

C15H24N2O2S — CID 107406932

IUPAC3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C15H24N2O2S/c1-4-7-8-9-17-20(18,19)15-11-12(5-2)10-14(16)13(15)6-3/h4,7,10-11,17H,5-6,8-9,16H2,1-3H3/b7-4+
InChIKeyTWZYQKMBQXTITH-QPJJXVBHSA-N
MW296.44 g/mol
LogP2.64
Rot. Bonds7

About 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide

3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide (PubChem CID 107406932) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
PubChem CID107406932
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C15H24N2O2S/c1-4-7-8-9-17-20(18,19)15-11-12(5-2)10-14(16)13(15)6-3/h4,7,10-11,17H,5-6,8-9,16H2,1-3H3/b7-4+
InChIKeyTWZYQKMBQXTITH-QPJJXVBHSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425499
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
CID 107407059
2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
CID 113465908

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide (CID 107406932) is 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide is C/C=C/CCNS(=O)(=O)c1cc(CC)cc(N)c1CC.
What is the InChIKey of 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide?
The InChIKey is TWZYQKMBQXTITH-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-7-8-9-17-20(18,19)15-11-12(5-2)10-14(16)13(15)6-3/h4,7,10-11,17H,5-6,8-9,16H2,1-3H3/b7-4+.
What are the key properties of 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide?
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide is sourced from PubChem (CID 107406932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).