3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole

C11H10ClNO2S — CID 71412989

IUPAC3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole
SMILESCS(=O)(=O)c1c[nH]cc1-c1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO2S/c1-16(14,15)11-7-13-6-10(11)8-3-2-4-9(12)5-8/h2-7,13H,1H3
InChIKeyLUKCDCBVAXTECB-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.74
Rot. Bonds2

About 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole

3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole (PubChem CID 71412989) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole
PubChem CID71412989
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole
SMILESCS(=O)(=O)c1c[nH]cc1-c1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO2S/c1-16(14,15)11-7-13-6-10(11)8-3-2-4-9(12)5-8/h2-7,13H,1H3
InChIKeyLUKCDCBVAXTECB-UHFFFAOYSA-N
XLogP2.74
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole?
The IUPAC name of 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole (CID 71412989) is 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole.
What is the SMILES notation for 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole?
The canonical SMILES for 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole is CS(=O)(=O)c1c[nH]cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole?
The InChIKey is LUKCDCBVAXTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-16(14,15)11-7-13-6-10(11)8-3-2-4-9(12)5-8/h2-7,13H,1H3.
What are the key properties of 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole?
3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole has a molecular weight of 255.73 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole is sourced from PubChem (CID 71412989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).