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

C15H26N2O3S — CID 79961889

IUPAC5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C15H26N2O3S/c1-10(2)7-12(4)17(5)21(18,19)15-9-13(16)11(3)8-14(15)20-6/h8-10,12H,7,16H2,1-6H3
InChIKeyIXHYOEZSILFODG-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.64
Rot. Bonds6

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

5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 79961889) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID79961889
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C15H26N2O3S/c1-10(2)7-12(4)17(5)21(18,19)15-9-13(16)11(3)8-14(15)20-6/h8-10,12H,7,16H2,1-6H3
InChIKeyIXHYOEZSILFODG-UHFFFAOYSA-N
XLogP2.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.64
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-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102945892
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 119982428
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 102859186

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 79961889) is 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)N(C)C(C)CC(C)C.
What is the InChIKey of 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is IXHYOEZSILFODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-10(2)7-12(4)17(5)21(18,19)15-9-13(16)11(3)8-14(15)20-6/h8-10,12H,7,16H2,1-6H3.
What are the key properties of 5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.64, 6 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-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79961889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).