1-(4-chlorophenyl)sulfonylpyrrole

C10H8ClNO2S — CID 706366

IUPAC1-(4-chlorophenyl)sulfonylpyrrole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cccc1
InChIInChI=1S/C10H8ClNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
InChIKeyACNNPPGRQRFTSO-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylpyrrole

1-(4-chlorophenyl)sulfonylpyrrole (PubChem CID 706366) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpyrrole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpyrrole
PubChem CID706366
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name1-(4-chlorophenyl)sulfonylpyrrole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cccc1
InChIInChI=1S/C10H8ClNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
InChIKeyACNNPPGRQRFTSO-UHFFFAOYSA-N
XLogP2.38
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpyrrole?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpyrrole (CID 706366) is 1-(4-chlorophenyl)sulfonylpyrrole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpyrrole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpyrrole is O=S(=O)(c1ccc(Cl)cc1)n1cccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpyrrole?
The InChIKey is ACNNPPGRQRFTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H.
What are the key properties of 1-(4-chlorophenyl)sulfonylpyrrole?
1-(4-chlorophenyl)sulfonylpyrrole has a molecular weight of 241.70 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpyrrole is sourced from PubChem (CID 706366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).