6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C14H22N2O3S — CID 82740652

IUPAC6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N(C)C2CCOC2C)c1C
InChIInChI=1S/C14H22N2O3S/c1-9-5-6-12(15)14(10(9)2)20(17,18)16(4)13-7-8-19-11(13)3/h5-6,11,13H,7-8,15H2,1-4H3
InChIKeyCQLGOWIOZJRZDR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.68
Rot. Bonds3

About 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82740652) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82740652
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N(C)C2CCOC2C)c1C
InChIInChI=1S/C14H22N2O3S/c1-9-5-6-12(15)14(10(9)2)20(17,18)16(4)13-7-8-19-11(13)3/h5-6,11,13H,7-8,15H2,1-4H3
InChIKeyCQLGOWIOZJRZDR-UHFFFAOYSA-N
XLogP1.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82740652) is 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)N(C)C2CCOC2C)c1C.
What is the InChIKey of 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is CQLGOWIOZJRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-5-6-12(15)14(10(9)2)20(17,18)16(4)13-7-8-19-11(13)3/h5-6,11,13H,7-8,15H2,1-4H3.
What are the key properties of 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).