2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C14H22N2O2S — CID 61112904

IUPAC2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C14H22N2O2S/c1-6-16(9-10(2)3)19(17,18)14-8-12(5)11(4)7-13(14)15/h7-8H,2,6,9,15H2,1,3-5H3
InChIKeyBPEQOYTZKSTXQD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 61112904) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID61112904
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C14H22N2O2S/c1-6-16(9-10(2)3)19(17,18)14-8-12(5)11(4)7-13(14)15/h7-8H,2,6,9,15H2,1,3-5H3
InChIKeyBPEQOYTZKSTXQD-UHFFFAOYSA-N
XLogP2.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.47
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

2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112335
3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107405917
methyl 3-amino-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoate
CID 61113088
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide
CID 57246919
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 61300939
2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
CID 114276936
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
CID 46556061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 61112904) is 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is BPEQOYTZKSTXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-6-16(9-10(2)3)19(17,18)14-8-12(5)11(4)7-13(14)15/h7-8H,2,6,9,15H2,1,3-5H3.
What are the key properties of 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 61112904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).