2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide

C16H23N3O4S — CID 91779438

IUPAC2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H23N3O4S/c1-19(2)8-10-23-15-12-22-9-7-14(15)18-24(20,21)16-6-4-3-5-13(16)11-17/h3-6,14-15,18H,7-10,12H2,1-2H3/t14-,15-/m1/s1
InChIKeyLRYXRHDWYARVQR-HUUCEWRRSA-N
MW353.44 g/mol
LogP0.57
Rot. Bonds7

About 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide

2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide (PubChem CID 91779438) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
PubChem CID91779438
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H23N3O4S/c1-19(2)8-10-23-15-12-22-9-7-14(15)18-24(20,21)16-6-4-3-5-13(16)11-17/h3-6,14-15,18H,7-10,12H2,1-2H3/t14-,15-/m1/s1
InChIKeyLRYXRHDWYARVQR-HUUCEWRRSA-N
XLogP0.57
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-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 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide (CID 91779438) is 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide is CN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide?
The InChIKey is LRYXRHDWYARVQR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-19(2)8-10-23-15-12-22-9-7-14(15)18-24(20,21)16-6-4-3-5-13(16)11-17/h3-6,14-15,18H,7-10,12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide?
2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 91779438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).