4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide

C13H23N3O3S — CID 106183615

IUPAC4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C13H23N3O3S/c1-12(2,13(3,4)17)16-11-8-9(6-7-10(11)14)20(18,19)15-5/h6-8,15-17H,14H2,1-5H3
InChIKeyDPHNHEWDAXOIGQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.14
Rot. Bonds5

About 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide

4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 106183615) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
PubChem CID106183615
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C13H23N3O3S/c1-12(2,13(3,4)17)16-11-8-9(6-7-10(11)14)20(18,19)15-5/h6-8,15-17H,14H2,1-5H3
InChIKeyDPHNHEWDAXOIGQ-UHFFFAOYSA-N
XLogP1.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
CID 82899653
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide (CID 106183615) is 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is DPHNHEWDAXOIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-12(2,13(3,4)17)16-11-8-9(6-7-10(11)14)20(18,19)15-5/h6-8,15-17H,14H2,1-5H3.
What are the key properties of 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide?
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106183615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).