2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene

C12H11ClO4S3 — CID 2819668

IUPAC2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene
SMILESO=S(=O)(CCS(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClO4S3/c13-10-3-5-11(6-4-10)19(14,15)8-9-20(16,17)12-2-1-7-18-12/h1-7H,8-9H2
InChIKeyOWDHHSCIHNGENE-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene

2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene (PubChem CID 2819668) has the molecular formula C12H11ClO4S3 and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene
PubChem CID2819668
Molecular FormulaC12H11ClO4S3
Molecular Weight350.87 g/mol
Exact Mass349.95
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene
SMILESO=S(=O)(CCS(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClO4S3/c13-10-3-5-11(6-4-10)19(14,15)8-9-20(16,17)12-2-1-7-18-12/h1-7H,8-9H2
InChIKeyOWDHHSCIHNGENE-UHFFFAOYSA-N
XLogP2.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene (CID 2819668) is 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene is O=S(=O)(CCS(=O)(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene?
The InChIKey is OWDHHSCIHNGENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO4S3/c13-10-3-5-11(6-4-10)19(14,15)8-9-20(16,17)12-2-1-7-18-12/h1-7H,8-9H2.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene?
2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene has a molecular weight of 350.87 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylethylsulfonyl]thiophene is sourced from PubChem (CID 2819668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).