5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide

C14H24N2O3S — CID 79973709

IUPAC5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C14H24N2O3S/c1-6-16(9-10(2)3)20(17,18)14-8-12(15)11(4)7-13(14)19-5/h7-8,10H,6,9,15H2,1-5H3
InChIKeyKZUJIVJZLYMYTK-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.25
Rot. Bonds6

About 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide

5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 79973709) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID79973709
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C14H24N2O3S/c1-6-16(9-10(2)3)20(17,18)14-8-12(15)11(4)7-13(14)19-5/h7-8,10H,6,9,15H2,1-5H3
InChIKeyKZUJIVJZLYMYTK-UHFFFAOYSA-N
XLogP2.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.25
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-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102945892
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 79961889
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
2-[(4-methoxy-2,5-dimethylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 47064798
5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114364129
5-amino-N-ethyl-2,4-dimethoxy-N-prop-2-ynylbenzenesulfonamide
CID 102946052

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 79973709) is 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide is CCN(CC(C)C)S(=O)(=O)c1cc(N)c(C)cc1OC.
What is the InChIKey of 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is KZUJIVJZLYMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-6-16(9-10(2)3)20(17,18)14-8-12(15)11(4)7-13(14)19-5/h7-8,10H,6,9,15H2,1-5H3.
What are the key properties of 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 79973709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).