1-(benzenesulfonyl)-2-methylsulfonylpyrrole

C11H11NO4S2 — CID 121219466

IUPAC1-(benzenesulfonyl)-2-methylsulfonylpyrrole
SMILESCS(=O)(=O)c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11NO4S2/c1-17(13,14)11-8-5-9-12(11)18(15,16)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyNBFVTPOBSGSYDH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.13
Rot. Bonds3

About 1-(benzenesulfonyl)-2-methylsulfonylpyrrole

1-(benzenesulfonyl)-2-methylsulfonylpyrrole (PubChem CID 121219466) has the molecular formula C11H11NO4S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methylsulfonylpyrrole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methylsulfonylpyrrole
PubChem CID121219466
Molecular FormulaC11H11NO4S2
Molecular Weight285.35 g/mol
Exact Mass285.01
IUPAC Name1-(benzenesulfonyl)-2-methylsulfonylpyrrole
SMILESCS(=O)(=O)c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11NO4S2/c1-17(13,14)11-8-5-9-12(11)18(15,16)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyNBFVTPOBSGSYDH-UHFFFAOYSA-N
XLogP1.13
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methylsulfonylpyrrole?
The IUPAC name of 1-(benzenesulfonyl)-2-methylsulfonylpyrrole (CID 121219466) is 1-(benzenesulfonyl)-2-methylsulfonylpyrrole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methylsulfonylpyrrole?
The canonical SMILES for 1-(benzenesulfonyl)-2-methylsulfonylpyrrole is CS(=O)(=O)c1cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methylsulfonylpyrrole?
The InChIKey is NBFVTPOBSGSYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S2/c1-17(13,14)11-8-5-9-12(11)18(15,16)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methylsulfonylpyrrole?
1-(benzenesulfonyl)-2-methylsulfonylpyrrole has a molecular weight of 285.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methylsulfonylpyrrole is sourced from PubChem (CID 121219466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).