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

C13H20N2O2S — CID 61112335

IUPAC3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-5-15(9-10(2)3)18(16,17)12-7-6-11(4)13(14)8-12/h6-8H,2,5,9,14H2,1,3-4H3
InChIKeyVJJZEVDOLOPLKX-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 61112335) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID61112335
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-5-15(9-10(2)3)18(16,17)12-7-6-11(4)13(14)8-12/h6-8H,2,5,9,14H2,1,3-4H3
InChIKeyVJJZEVDOLOPLKX-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.16
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

4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112904
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
2-chloro-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoic acid
CID 104654355
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
CID 43456823
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 61112335) is 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is VJJZEVDOLOPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-15(9-10(2)3)18(16,17)12-7-6-11(4)13(14)8-12/h6-8H,2,5,9,14H2,1,3-4H3.
What are the key properties of 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 61112335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).