1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole

C14H17NO2S — CID 71562201

IUPAC1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole
SMILESCCc1cccn1S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H17NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)10-12(14)3/h5-10H,4H2,1-3H3
InChIKeyQFPDNAKLWROWCA-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.90
Rot. Bonds3

About 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole

1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole (PubChem CID 71562201) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole
PubChem CID71562201
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole
SMILESCCc1cccn1S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H17NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)10-12(14)3/h5-10H,4H2,1-3H3
InChIKeyQFPDNAKLWROWCA-UHFFFAOYSA-N
XLogP2.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole (CID 71562201) is 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole is CCc1cccn1S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole?
The InChIKey is QFPDNAKLWROWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)10-12(14)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole?
1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole has a molecular weight of 263.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole is sourced from PubChem (CID 71562201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).