2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide

C13H22N2O3S — CID 80646385

IUPAC2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC(C)CC(C)C)cc1N
InChIInChI=1S/C13H22N2O3S/c1-9(2)7-10(3)18-11-5-6-13(12(14)8-11)19(16,17)15-4/h5-6,8-10,15H,7,14H2,1-4H3
InChIKeyNQWMQQPXEJPPKL-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds6

About 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide

2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide (PubChem CID 80646385) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
PubChem CID80646385
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC(C)CC(C)C)cc1N
InChIInChI=1S/C13H22N2O3S/c1-9(2)7-10(3)18-11-5-6-13(12(14)8-11)19(16,17)15-4/h5-6,8-10,15H,7,14H2,1-4H3
InChIKeyNQWMQQPXEJPPKL-UHFFFAOYSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
2-amino-4-pentan-2-yloxybenzenesulfonamide
CID 102980405
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
CID 116800594
2-amino-5-(4-methylpentan-2-yloxy)benzamide
CID 55139339
2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
CID 102739860
2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
CID 80645953
2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
CID 106596553
2-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 80640880
2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
2-amino-N-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
CID 80646449
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide (CID 80646385) is 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide is CNS(=O)(=O)c1ccc(OC(C)CC(C)C)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide?
The InChIKey is NQWMQQPXEJPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)7-10(3)18-11-5-6-13(12(14)8-11)19(16,17)15-4/h5-6,8-10,15H,7,14H2,1-4H3.
What are the key properties of 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide?
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 80646385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).