N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide

C20H15ClN2O3S2 — CID 134485621

IUPACN-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide
SMILESO=S(Cc1ccccc1)c1ncc(Cl)cc1NS(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H15ClN2O3S2/c21-16-11-17(20(22-12-16)27(24)13-14-6-2-1-3-7-14)23-28(25)19-10-15-8-4-5-9-18(15)26-19/h1-12,23H,13H2
InChIKeyXUCRYJNJJBAAQH-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.92
Rot. Bonds6

About N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide

N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide (PubChem CID 134485621) has the molecular formula C20H15ClN2O3S2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide.

Molecular Properties

Compound NameN-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide
PubChem CID134485621
Molecular FormulaC20H15ClN2O3S2
Molecular Weight430.94 g/mol
Exact Mass430.02
IUPAC NameN-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide
SMILESO=S(Cc1ccccc1)c1ncc(Cl)cc1NS(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H15ClN2O3S2/c21-16-11-17(20(22-12-16)27(24)13-14-6-2-1-3-7-14)23-28(25)19-10-15-8-4-5-9-18(15)26-19/h1-12,23H,13H2
InChIKeyXUCRYJNJJBAAQH-UHFFFAOYSA-N
XLogP4.92
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide 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-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide?
The IUPAC name of N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide (CID 134485621) is N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide.
What is the SMILES notation for N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide?
The canonical SMILES for N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide is O=S(Cc1ccccc1)c1ncc(Cl)cc1NS(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide?
The InChIKey is XUCRYJNJJBAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S2/c21-16-11-17(20(22-12-16)27(24)13-14-6-2-1-3-7-14)23-28(25)19-10-15-8-4-5-9-18(15)26-19/h1-12,23H,13H2.
What are the key properties of N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide?
N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide has a molecular weight of 430.94 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfinyl-5-chloro-3-pyridinyl)-1-benzofuran-2-sulfinamide is sourced from PubChem (CID 134485621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).