4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide

C13H22N2O3S — CID 82901044

IUPAC4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OC(C)C(C)C)c1
InChIInChI=1S/C13H22N2O3S/c1-5-15-19(16,17)11-6-7-12(14)13(8-11)18-10(4)9(2)3/h6-10,15H,5,14H2,1-4H3
InChIKeyPSFWSRADEJNDBM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide

4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide (PubChem CID 82901044) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
PubChem CID82901044
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OC(C)C(C)C)c1
InChIInChI=1S/C13H22N2O3S/c1-5-15-19(16,17)11-6-7-12(14)13(8-11)18-10(4)9(2)3/h6-10,15H,5,14H2,1-4H3
InChIKeyPSFWSRADEJNDBM-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

4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 82954770
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82902346
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide (CID 82901044) is 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(OC(C)C(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide?
The InChIKey is PSFWSRADEJNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15-19(16,17)11-6-7-12(14)13(8-11)18-10(4)9(2)3/h6-10,15H,5,14H2,1-4H3.
What are the key properties of 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide?
4-amino-N-ethyl-3-(3-methylbutan-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 4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 82901044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).