5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

C12H20N2O3S — CID 62333305

IUPAC5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H20N2O3S/c1-4-10-5-6-11(13)7-12(10)18(16,17)14(3)8-9(2)15/h5-7,9,15H,4,8,13H2,1-3H3
InChIKeyNKIQDKWFNLZDJR-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.83
Rot. Bonds5

About 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 62333305) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID62333305
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H20N2O3S/c1-4-10-5-6-11(13)7-12(10)18(16,17)14(3)8-9(2)15/h5-7,9,15H,4,8,13H2,1-3H3
InChIKeyNKIQDKWFNLZDJR-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.83
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

5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
3-amino-4-[2-hydroxypropyl(methyl)sulfamoyl]benzoic acid
CID 81471129
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (CID 62333305) is 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is NKIQDKWFNLZDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-10-5-6-11(13)7-12(10)18(16,17)14(3)8-9(2)15/h5-7,9,15H,4,8,13H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).