3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide

C19H15NO4S2 — CID 22092096

IUPAC3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CC(S(=O)(=O)c2ccccc2)c2c(-c3cccnc3)cccc21
InChIInChI=1S/C19H15NO4S2/c21-25(22)13-18(26(23,24)15-7-2-1-3-8-15)19-16(9-4-10-17(19)25)14-6-5-11-20-12-14/h1-12,18H,13H2
InChIKeyMOVIIQGULTXWFH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.05
Rot. Bonds3

About 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide

3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 22092096) has the molecular formula C19H15NO4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID22092096
Molecular FormulaC19H15NO4S2
Molecular Weight385.47 g/mol
Exact Mass385.04
IUPAC Name3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CC(S(=O)(=O)c2ccccc2)c2c(-c3cccnc3)cccc21
InChIInChI=1S/C19H15NO4S2/c21-25(22)13-18(26(23,24)15-7-2-1-3-8-15)19-16(9-4-10-17(19)25)14-6-5-11-20-12-14/h1-12,18H,13H2
InChIKeyMOVIIQGULTXWFH-UHFFFAOYSA-N
XLogP3.05
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide 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 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 22092096) is 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide is O=S1(=O)CC(S(=O)(=O)c2ccccc2)c2c(-c3cccnc3)cccc21.
What is the InChIKey of 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is MOVIIQGULTXWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S2/c21-25(22)13-18(26(23,24)15-7-2-1-3-8-15)19-16(9-4-10-17(19)25)14-6-5-11-20-12-14/h1-12,18H,13H2.
What are the key properties of 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 385.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-pyridin-3-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 22092096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).