5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C14H22N2O3S — CID 61433419

IUPAC5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2O3S/c1-3-16(10-13-5-4-8-19-13)20(17,18)14-9-12(15)7-6-11(14)2/h6-7,9,13H,3-5,8,10,15H2,1-2H3
InChIKeyLFROYSUDQXYOBT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.77
Rot. Bonds5

About 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 61433419) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID61433419
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2O3S/c1-3-16(10-13-5-4-8-19-13)20(17,18)14-9-12(15)7-6-11(14)2/h6-7,9,13H,3-5,8,10,15H2,1-2H3
InChIKeyLFROYSUDQXYOBT-UHFFFAOYSA-N
XLogP1.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61436327
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 61434279
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122
5-amino-N-methyl-2-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 62158780
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 125061925
6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 64602639
2,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971340
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 61433419) is 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is LFROYSUDQXYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(10-13-5-4-8-19-13)20(17,18)14-9-12(15)7-6-11(14)2/h6-7,9,13H,3-5,8,10,15H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.77, 5 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-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61433419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).