5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C12H18N2O2S — CID 114615046

IUPAC5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(N)ccc1CC
InChIInChI=1S/C12H18N2O2S/c1-4-10-5-6-11(13)7-12(10)17(15,16)14-8-9(2)3/h5-7,14H,2,4,8,13H2,1,3H3
InChIKeyTZNLOTOVMWYJIC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.69
Rot. Bonds5

About 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114615046) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114615046
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(N)ccc1CC
InChIInChI=1S/C12H18N2O2S/c1-4-10-5-6-11(13)7-12(10)17(15,16)14-8-9(2)3/h5-7,14H,2,4,8,13H2,1,3H3
InChIKeyTZNLOTOVMWYJIC-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.69
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

2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106140110
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114615046) is 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1cc(N)ccc1CC.
What is the InChIKey of 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is TZNLOTOVMWYJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-10-5-6-11(13)7-12(10)17(15,16)14-8-9(2)3/h5-7,14H,2,4,8,13H2,1,3H3.
What are the key properties of 5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.69, 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-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114615046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).