[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone

C18H15NO3S — CID 71417843

IUPAC[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)n2cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyKLCFTQKXTMMGNM-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.26
Rot. Bonds4

About [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone

[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone (PubChem CID 71417843) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone
PubChem CID71417843
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)n2cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyKLCFTQKXTMMGNM-UHFFFAOYSA-N
XLogP3.26
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone (CID 71417843) is [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)n2cccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone?
The InChIKey is KLCFTQKXTMMGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(19)18(20)15-6-3-2-4-7-15/h2-13H,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone?
[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone has a molecular weight of 325.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 71417843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).