1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole

C12H12ClNO2S — CID 71562082

IUPAC1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole
SMILESCCc1cccn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO2S/c1-2-11-4-3-9-14(11)17(15,16)12-7-5-10(13)6-8-12/h3-9H,2H2,1H3
InChIKeyDITKEPATRISCKQ-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole

1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole (PubChem CID 71562082) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole
PubChem CID71562082
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole
SMILESCCc1cccn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO2S/c1-2-11-4-3-9-14(11)17(15,16)12-7-5-10(13)6-8-12/h3-9H,2H2,1H3
InChIKeyDITKEPATRISCKQ-UHFFFAOYSA-N
XLogP2.94
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole (CID 71562082) is 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole is CCc1cccn1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole?
The InChIKey is DITKEPATRISCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-2-11-4-3-9-14(11)17(15,16)12-7-5-10(13)6-8-12/h3-9H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole?
1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole has a molecular weight of 269.75 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-ethylpyrrole is sourced from PubChem (CID 71562082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).