N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide

C22H26N4O4S — CID 137364312

IUPACN,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1
InChIInChI=1S/C22H26N4O4S/c1-25(2)31(27,28)19-9-6-17(7-10-19)16-30-18-8-11-20(23-15-18)21-12-13-24-26(21)22-5-3-4-14-29-22/h6-13,15,22H,3-5,14,16H2,1-2H3
InChIKeyALHITGLOGXJKOK-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.47
Rot. Bonds7

About N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide

N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide (PubChem CID 137364312) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
PubChem CID137364312
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1
InChIInChI=1S/C22H26N4O4S/c1-25(2)31(27,28)19-9-6-17(7-10-19)16-30-18-8-11-20(23-15-18)21-12-13-24-26(21)22-5-3-4-14-29-22/h6-13,15,22H,3-5,14,16H2,1-2H3
InChIKeyALHITGLOGXJKOK-UHFFFAOYSA-N
XLogP3.47
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]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 N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide (CID 137364312) is N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide?
The InChIKey is ALHITGLOGXJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-25(2)31(27,28)19-9-6-17(7-10-19)16-30-18-8-11-20(23-15-18)21-12-13-24-26(21)22-5-3-4-14-29-22/h6-13,15,22H,3-5,14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide?
N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide is sourced from PubChem (CID 137364312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).