4-methylsulfonylthiophene-2-sulfonyl chloride

C5H5ClO4S3 — CID 90285504

IUPAC4-methylsulfonylthiophene-2-sulfonyl chloride
SMILESCS(=O)(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C5H5ClO4S3/c1-12(7,8)4-2-5(11-3-4)13(6,9)10/h2-3H,1H3
InChIKeyBMGZIKVBFXAUKB-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.08
Rot. Bonds2

About 4-methylsulfonylthiophene-2-sulfonyl chloride

4-methylsulfonylthiophene-2-sulfonyl chloride (PubChem CID 90285504) has the molecular formula C5H5ClO4S3 and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-methylsulfonylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-methylsulfonylthiophene-2-sulfonyl chloride
PubChem CID90285504
Molecular FormulaC5H5ClO4S3
Molecular Weight260.75 g/mol
Exact Mass259.90
IUPAC Name4-methylsulfonylthiophene-2-sulfonyl chloride
SMILESCS(=O)(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C5H5ClO4S3/c1-12(7,8)4-2-5(11-3-4)13(6,9)10/h2-3H,1H3
InChIKeyBMGZIKVBFXAUKB-UHFFFAOYSA-N
XLogP1.08
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylthiophene-2-sulfonyl chloride?
The IUPAC name of 4-methylsulfonylthiophene-2-sulfonyl chloride (CID 90285504) is 4-methylsulfonylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-methylsulfonylthiophene-2-sulfonyl chloride?
The canonical SMILES for 4-methylsulfonylthiophene-2-sulfonyl chloride is CS(=O)(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-methylsulfonylthiophene-2-sulfonyl chloride?
The InChIKey is BMGZIKVBFXAUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO4S3/c1-12(7,8)4-2-5(11-3-4)13(6,9)10/h2-3H,1H3.
What are the key properties of 4-methylsulfonylthiophene-2-sulfonyl chloride?
4-methylsulfonylthiophene-2-sulfonyl chloride has a molecular weight of 260.75 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 90285504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).