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

C12H18N2O2S — CID 43119905

IUPAC4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-4-14(9-10(2)3)17(15,16)12-7-5-11(13)6-8-12/h5-8H,2,4,9,13H2,1,3H3
InChIKeyULOMEGNUDCNHEU-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.86
Rot. Bonds5

About 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 43119905) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID43119905
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-4-14(9-10(2)3)17(15,16)12-7-5-11(13)6-8-12/h5-8H,2,4,9,13H2,1,3H3
InChIKeyULOMEGNUDCNHEU-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
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

3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112335
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 61300939
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
2-chloro-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoic acid
CID 104654355
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112904
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
CID 43456823
5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 43520868
2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 123993867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 43119905) is 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is ULOMEGNUDCNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-14(9-10(2)3)17(15,16)12-7-5-11(13)6-8-12/h5-8H,2,4,9,13H2,1,3H3.
What are the key properties of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 43119905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).