2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide

C11H19N3O3S — CID 79466378

IUPAC2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
SMILESCCC(C)(O)CNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H19N3O3S/c1-3-11(2,15)7-14-8-4-5-10(9(12)6-8)18(13,16)17/h4-6,14-15H,3,7,12H2,1-2H3,(H2,13,16,17)
InChIKeyNZHWTPXUYBZDNE-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.49
Rot. Bonds5

About 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide

2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide (PubChem CID 79466378) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
PubChem CID79466378
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
SMILESCCC(C)(O)CNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H19N3O3S/c1-3-11(2,15)7-14-8-4-5-10(9(12)6-8)18(13,16)17/h4-6,14-15H,3,7,12H2,1-2H3,(H2,13,16,17)
InChIKeyNZHWTPXUYBZDNE-UHFFFAOYSA-N
XLogP0.49
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]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-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
1-(3-amino-4-nitroanilino)-2-methylbutan-2-ol
CID 106749390
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 80640880
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-(3-amino-4-sulfamoylanilino)-2-methylpropanamide
CID 79467145
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
2-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231585
3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
CID 106750959
2-methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide (CID 79466378) is 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide is CCC(C)(O)CNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide?
The InChIKey is NZHWTPXUYBZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-11(2,15)7-14-8-4-5-10(9(12)6-8)18(13,16)17/h4-6,14-15H,3,7,12H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide?
2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide is sourced from PubChem (CID 79466378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).