5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide

C13H20N2O2S — CID 114154840

IUPAC5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC=C(C)C
InChIInChI=1S/C13H20N2O2S/c1-4-11-5-6-12(14)9-13(11)18(16,17)15-8-7-10(2)3/h5-7,9,15H,4,8,14H2,1-3H3
InChIKeyDMXMUPARDZTQDO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.08
Rot. Bonds5

About 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide

5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide (PubChem CID 114154840) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
PubChem CID114154840
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC=C(C)C
InChIInChI=1S/C13H20N2O2S/c1-4-11-5-6-12(14)9-13(11)18(16,17)15-8-7-10(2)3/h5-7,9,15H,4,8,14H2,1-3H3
InChIKeyDMXMUPARDZTQDO-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
CID 106191063
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106140110
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide (CID 114154840) is 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCC=C(C)C.
What is the InChIKey of 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
The InChIKey is DMXMUPARDZTQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-11-5-6-12(14)9-13(11)18(16,17)15-8-7-10(2)3/h5-7,9,15H,4,8,14H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide?
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114154840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).