5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole

C10H11NO2S — CID 70432279

IUPAC5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole
SMILESO=S(=O)(C1=NCCC1)c1ccccc1
InChIInChI=1S/C10H11NO2S/c12-14(13,10-7-4-8-11-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeySIAVJEFLEXGFBO-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.65
Rot. Bonds1

About 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole

5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole (PubChem CID 70432279) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole
PubChem CID70432279
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole
SMILESO=S(=O)(C1=NCCC1)c1ccccc1
InChIInChI=1S/C10H11NO2S/c12-14(13,10-7-4-8-11-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeySIAVJEFLEXGFBO-UHFFFAOYSA-N
XLogP1.65
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole (CID 70432279) is 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole is O=S(=O)(C1=NCCC1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is SIAVJEFLEXGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-14(13,10-7-4-8-11-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole?
5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 209.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 70432279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).