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

C11H16N2O2S — CID 114615116

IUPAC3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H16N2O2S/c1-8(2)7-13-16(14,15)10-5-4-9(3)11(12)6-10/h4-6,13H,1,7,12H2,2-3H3
InChIKeyUBRPNVMVYNYQGQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.43
Rot. Bonds4

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

3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114615116) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114615116
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H16N2O2S/c1-8(2)7-13-16(14,15)10-5-4-9(3)11(12)6-10/h4-6,13H,1,7,12H2,2-3H3
InChIKeyUBRPNVMVYNYQGQ-UHFFFAOYSA-N
XLogP1.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.43
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

4-methyl-N-(2-methylprop-2-enyl)-3-nitrobenzenesulfonamide
CID 114616455
3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 106546806
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 61239053
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615093
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
3-amino-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159874
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114615116) is 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is UBRPNVMVYNYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(2)7-13-16(14,15)10-5-4-9(3)11(12)6-10/h4-6,13H,1,7,12H2,2-3H3.
What are the key properties of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114615116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).