3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide

C13H11NO4S2 — CID 22092376

IUPAC3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide
SMILESO=S1(=O)CC(S(=O)(=O)c2ccccc2)c2ncccc21
InChIInChI=1S/C13H11NO4S2/c15-19(16)9-12(13-11(19)7-4-8-14-13)20(17,18)10-5-2-1-3-6-10/h1-8,12H,9H2
InChIKeyLRZGTGKQYHHARL-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.38
Rot. Bonds2

About 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide

3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide (PubChem CID 22092376) has the molecular formula C13H11NO4S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide
PubChem CID22092376
Molecular FormulaC13H11NO4S2
Molecular Weight309.37 g/mol
Exact Mass309.01
IUPAC Name3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide
SMILESO=S1(=O)CC(S(=O)(=O)c2ccccc2)c2ncccc21
InChIInChI=1S/C13H11NO4S2/c15-19(16)9-12(13-11(19)7-4-8-14-13)20(17,18)10-5-2-1-3-6-10/h1-8,12H,9H2
InChIKeyLRZGTGKQYHHARL-UHFFFAOYSA-N
XLogP1.38
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide?
The IUPAC name of 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide (CID 22092376) is 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide.
What is the SMILES notation for 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide?
The canonical SMILES for 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide is O=S1(=O)CC(S(=O)(=O)c2ccccc2)c2ncccc21.
What is the InChIKey of 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide?
The InChIKey is LRZGTGKQYHHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S2/c15-19(16)9-12(13-11(19)7-4-8-14-13)20(17,18)10-5-2-1-3-6-10/h1-8,12H,9H2.
What are the key properties of 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide?
3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide has a molecular weight of 309.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2,3-dihydrothieno[3,2-b]pyridine 1,1-dioxide is sourced from PubChem (CID 22092376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).