1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole

C11H8F3NO2S — CID 23046295

IUPAC1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole
SMILESO=S(=O)(c1ccccc1)n1cccc1C(F)(F)F
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)10-7-4-8-15(10)18(16,17)9-5-2-1-3-6-9/h1-8H
InChIKeyBTZDVPNAENHRFU-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.74
Rot. Bonds2

About 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole

1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole (PubChem CID 23046295) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole
PubChem CID23046295
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC Name1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole
SMILESO=S(=O)(c1ccccc1)n1cccc1C(F)(F)F
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)10-7-4-8-15(10)18(16,17)9-5-2-1-3-6-9/h1-8H
InChIKeyBTZDVPNAENHRFU-UHFFFAOYSA-N
XLogP2.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole?
The IUPAC name of 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole (CID 23046295) is 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole is O=S(=O)(c1ccccc1)n1cccc1C(F)(F)F.
What is the InChIKey of 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole?
The InChIKey is BTZDVPNAENHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c12-11(13,14)10-7-4-8-15(10)18(16,17)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole?
1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole has a molecular weight of 275.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole is sourced from PubChem (CID 23046295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).