3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C16H26N2O2S — CID 107405917

IUPAC3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C16H26N2O2S/c1-6-13-9-15(17)14(7-2)16(10-13)21(19,20)18(8-3)11-12(4)5/h9-10H,4,6-8,11,17H2,1-3,5H3
InChIKeyVKJKFYUWJFONDJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.98
Rot. Bonds7

About 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 107405917) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID107405917
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C16H26N2O2S/c1-6-13-9-15(17)14(7-2)16(10-13)21(19,20)18(8-3)11-12(4)5/h9-10H,4,6-8,11,17H2,1-3,5H3
InChIKeyVKJKFYUWJFONDJ-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.98
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'}

Analyze 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide
CID 107405765
methyl 3-amino-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoate
CID 61113088
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
CID 107407059
3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 107405806
3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112335
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107406071
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
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 107405917) is 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1cc(CC)cc(N)c1CC.
What is the InChIKey of 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is VKJKFYUWJFONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-13-9-15(17)14(7-2)16(10-13)21(19,20)18(8-3)11-12(4)5/h9-10H,4,6-8,11,17H2,1-3,5H3.
What are the key properties of 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 107405917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).