5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide

C13H22N2O3S — CID 28519081

IUPAC5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C13H22N2O3S/c1-4-18-7-5-6-15-19(16,17)13-9-12(14)8-10(2)11(13)3/h8-9,15H,4-7,14H2,1-3H3
InChIKeySNWQLFSBQZESES-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.59
Rot. Bonds7

About 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 28519081) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
PubChem CID28519081
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C13H22N2O3S/c1-4-18-7-5-6-15-19(16,17)13-9-12(14)8-10(2)11(13)3/h8-9,15H,4-7,14H2,1-3H3
InChIKeySNWQLFSBQZESES-UHFFFAOYSA-N
XLogP1.59
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
5-amino-3-(3-ethoxypropylamino)-2-methylbenzenesulfonamide
CID 79897340
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
methyl 4-amino-2-(3-ethoxypropylsulfamoyl)benzoate
CID 102930814
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62843792
4-amino-N-(3-ethoxypropyl)-2-nitrobenzenesulfonamide
CID 62145077
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide (CID 28519081) is 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide is CCOCCCNS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is SNWQLFSBQZESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-18-7-5-6-15-19(16,17)13-9-12(14)8-10(2)11(13)3/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 28519081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).