1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone

C12H10ClNO3S — CID 2800095

IUPAC1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClNO3S/c1-9(15)10-6-7-14(8-10)18(16,17)12-4-2-11(13)3-5-12/h2-8H,1H3
InChIKeyYITRXRFSEINDLY-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.58
Rot. Bonds3

About 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone

1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone (PubChem CID 2800095) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone
PubChem CID2800095
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClNO3S/c1-9(15)10-6-7-14(8-10)18(16,17)12-4-2-11(13)3-5-12/h2-8H,1H3
InChIKeyYITRXRFSEINDLY-UHFFFAOYSA-N
XLogP2.58
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone (CID 2800095) is 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone is CC(=O)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone?
The InChIKey is YITRXRFSEINDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-9(15)10-6-7-14(8-10)18(16,17)12-4-2-11(13)3-5-12/h2-8H,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone?
1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone has a molecular weight of 283.74 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone is sourced from PubChem (CID 2800095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).