3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole

C19H19NO2S — CID 102126932

IUPAC3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1
InChIInChI=1S/C19H19NO2S/c1-3-16-13-20(14-19(16)17-7-5-4-6-8-17)23(21,22)18-11-9-15(2)10-12-18/h4-14H,3H2,1-2H3
InChIKeyIFSPCJTZTCQIHY-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.26
Rot. Bonds4

About 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole

3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole (PubChem CID 102126932) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole.

Molecular Properties

Compound Name3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
PubChem CID102126932
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1
InChIInChI=1S/C19H19NO2S/c1-3-16-13-20(14-19(16)17-7-5-4-6-8-17)23(21,22)18-11-9-15(2)10-12-18/h4-14H,3H2,1-2H3
InChIKeyIFSPCJTZTCQIHY-UHFFFAOYSA-N
XLogP4.26
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole?
The IUPAC name of 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole (CID 102126932) is 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole.
What is the SMILES notation for 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole?
The canonical SMILES for 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole is CCc1cn(S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1.
What is the InChIKey of 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole?
The InChIKey is IFSPCJTZTCQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-3-16-13-20(14-19(16)17-7-5-4-6-8-17)23(21,22)18-11-9-15(2)10-12-18/h4-14H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole?
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole has a molecular weight of 325.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole is sourced from PubChem (CID 102126932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).