2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide

C14H24N2O4S — CID 106249745

IUPAC2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C14H24N2O4S/c1-10-7-12(15)13(8-11(10)2)21(18,19)16-9-14(3,17)5-6-20-4/h7-8,16-17H,5-6,9,15H2,1-4H3
InChIKeyYHDCOOPZRKWYCU-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.95
Rot. Bonds7

About 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 106249745) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
PubChem CID106249745
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C14H24N2O4S/c1-10-7-12(15)13(8-11(10)2)21(18,19)16-9-14(3,17)5-6-20-4/h7-8,16-17H,5-6,9,15H2,1-4H3
InChIKeyYHDCOOPZRKWYCU-UHFFFAOYSA-N
XLogP0.95
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 103835050
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
4-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 106249681
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
CID 103835023
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2,4,5-trimethylbenzenesulfonamide
CID 95984441
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 104859338

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide (CID 106249745) is 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide is COCCC(C)(O)CNS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is YHDCOOPZRKWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10-7-12(15)13(8-11(10)2)21(18,19)16-9-14(3,17)5-6-20-4/h7-8,16-17H,5-6,9,15H2,1-4H3.
What are the key properties of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106249745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).