2-thiophen-2-ylsulfonylethanesulfonyl chloride

C6H7ClO4S3 — CID 12513886

IUPAC2-thiophen-2-ylsulfonylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C6H7ClO4S3/c7-14(10,11)5-4-13(8,9)6-2-1-3-12-6/h1-3H,4-5H2
InChIKeyNAZTZIRUXHSHIN-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.09
Rot. Bonds4

About 2-thiophen-2-ylsulfonylethanesulfonyl chloride

2-thiophen-2-ylsulfonylethanesulfonyl chloride (PubChem CID 12513886) has the molecular formula C6H7ClO4S3 and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfonylethanesulfonyl chloride.

Molecular Properties

Compound Name2-thiophen-2-ylsulfonylethanesulfonyl chloride
PubChem CID12513886
Molecular FormulaC6H7ClO4S3
Molecular Weight274.77 g/mol
Exact Mass273.92
IUPAC Name2-thiophen-2-ylsulfonylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C6H7ClO4S3/c7-14(10,11)5-4-13(8,9)6-2-1-3-12-6/h1-3H,4-5H2
InChIKeyNAZTZIRUXHSHIN-UHFFFAOYSA-N
XLogP1.09
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-thiophen-2-ylsulfonylpentan-1-amine
CID 64697389
2-(nitromethylsulfonyl)thiophene
CID 54049836
ethane;thiophene-2-sulfonyl chloride
CID 91564390
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
2-butylsulfonylthionine
CID 174380591
tert-butyl 3-thiophen-2-ylsulfonylpropanoate
CID 116662446
4-thiophen-2-ylbutane-1-sulfonyl chloride
CID 98701224
2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate
CID 171762676
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
sodium thiophene-2-sulfonic acid
CID 54603046
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfonylethanesulfonyl chloride?
The IUPAC name of 2-thiophen-2-ylsulfonylethanesulfonyl chloride (CID 12513886) is 2-thiophen-2-ylsulfonylethanesulfonyl chloride.
What is the SMILES notation for 2-thiophen-2-ylsulfonylethanesulfonyl chloride?
The canonical SMILES for 2-thiophen-2-ylsulfonylethanesulfonyl chloride is O=S(=O)(Cl)CCS(=O)(=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfonylethanesulfonyl chloride?
The InChIKey is NAZTZIRUXHSHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO4S3/c7-14(10,11)5-4-13(8,9)6-2-1-3-12-6/h1-3H,4-5H2.
What are the key properties of 2-thiophen-2-ylsulfonylethanesulfonyl chloride?
2-thiophen-2-ylsulfonylethanesulfonyl chloride has a molecular weight of 274.77 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfonylethanesulfonyl chloride is sourced from PubChem (CID 12513886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).