1-benzyl-3-phenylsulfanylpyrrole

C17H15NS — CID 10587782

IUPAC1-benzyl-3-phenylsulfanylpyrrole
SMILESc1ccc(Cn2ccc(Sc3ccccc3)c2)cc1
InChIInChI=1S/C17H15NS/c1-3-7-15(8-4-1)13-18-12-11-17(14-18)19-16-9-5-2-6-10-16/h1-12,14H,13H2
InChIKeyCUXWHIDPSLCJGI-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.69
Rot. Bonds4

About 1-benzyl-3-phenylsulfanylpyrrole

1-benzyl-3-phenylsulfanylpyrrole (PubChem CID 10587782) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-benzyl-3-phenylsulfanylpyrrole.

Molecular Properties

Compound Name1-benzyl-3-phenylsulfanylpyrrole
PubChem CID10587782
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name1-benzyl-3-phenylsulfanylpyrrole
SMILESc1ccc(Cn2ccc(Sc3ccccc3)c2)cc1
InChIInChI=1S/C17H15NS/c1-3-7-15(8-4-1)13-18-12-11-17(14-18)19-16-9-5-2-6-10-16/h1-12,14H,13H2
InChIKeyCUXWHIDPSLCJGI-UHFFFAOYSA-N
XLogP4.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylsulfanylpyrrole?
The IUPAC name of 1-benzyl-3-phenylsulfanylpyrrole (CID 10587782) is 1-benzyl-3-phenylsulfanylpyrrole.
What is the SMILES notation for 1-benzyl-3-phenylsulfanylpyrrole?
The canonical SMILES for 1-benzyl-3-phenylsulfanylpyrrole is c1ccc(Cn2ccc(Sc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-3-phenylsulfanylpyrrole?
The InChIKey is CUXWHIDPSLCJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-3-7-15(8-4-1)13-18-12-11-17(14-18)19-16-9-5-2-6-10-16/h1-12,14H,13H2.
What are the key properties of 1-benzyl-3-phenylsulfanylpyrrole?
1-benzyl-3-phenylsulfanylpyrrole has a molecular weight of 265.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylsulfanylpyrrole is sourced from PubChem (CID 10587782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).