2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide

C12H20N2O3S — CID 114276959

IUPAC2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCON(CC(C)C)S(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-9(2)8-14(17-4)18(15,16)12-6-5-10(3)7-11(12)13/h5-7,9H,8,13H2,1-4H3
InChIKeyUQBGUBKERAAUFY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.79
Rot. Bonds5

About 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide

2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 114276959) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID114276959
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCON(CC(C)C)S(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-9(2)8-14(17-4)18(15,16)12-6-5-10(3)7-11(12)13/h5-7,9H,8,13H2,1-4H3
InChIKeyUQBGUBKERAAUFY-UHFFFAOYSA-N
XLogP1.79
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)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-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 61112179
methyl 2-[(2-amino-4-methylphenyl)sulfonyl-ethylamino]acetate
CID 54998555
2-amino-4-methylbenzenesulfonic acid;methanamine
CID 19738432
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485
2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
CID 114276936
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61138647

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 114276959) is 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide is CON(CC(C)C)S(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UQBGUBKERAAUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)8-14(17-4)18(15,16)12-6-5-10(3)7-11(12)13/h5-7,9H,8,13H2,1-4H3.
What are the key properties of 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 114276959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).