5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide

C13H22N2O3S — CID 79974880

IUPAC5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)8-15(4)19(16,17)13-7-11(14)10(3)6-12(13)18-5/h6-7,9H,8,14H2,1-5H3
InChIKeyUMVVULFXKLDUIJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.86
Rot. Bonds5

About 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide

5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 79974880) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID79974880
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)8-15(4)19(16,17)13-7-11(14)10(3)6-12(13)18-5/h6-7,9H,8,14H2,1-5H3
InChIKeyUMVVULFXKLDUIJ-UHFFFAOYSA-N
XLogP1.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 79961889
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102945892
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide (CID 79974880) is 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)N(C)CC(C)C.
What is the InChIKey of 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UMVVULFXKLDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)8-15(4)19(16,17)13-7-11(14)10(3)6-12(13)18-5/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 79974880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).