2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine

C19H22N2O4S — CID 2441114

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine
SMILESCC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)c2O1
InChIInChI=1S/C19H22N2O4S/c1-19(2)12-14-6-5-7-16(18(14)25-19)24-17-9-8-15(13-20-17)26(22,23)21-10-3-4-11-21/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyLBAWISMGENTSBG-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.37
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 2441114) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID2441114
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine
SMILESCC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)c2O1
InChIInChI=1S/C19H22N2O4S/c1-19(2)12-14-6-5-7-16(18(14)25-19)24-17-9-8-15(13-20-17)26(22,23)21-10-3-4-11-21/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyLBAWISMGENTSBG-UHFFFAOYSA-N
XLogP3.37
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine 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-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine (CID 2441114) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine is CC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is LBAWISMGENTSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-19(2)12-14-6-5-7-16(18(14)25-19)24-17-9-8-15(13-20-17)26(22,23)21-10-3-4-11-21/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 374.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2441114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).