4-(benzenesulfonyl)thiophene-2-sulfonyl chloride

C10H7ClO4S3 — CID 625574

IUPAC4-(benzenesulfonyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C10H7ClO4S3/c11-18(14,15)10-6-9(7-16-10)17(12,13)8-4-2-1-3-5-8/h1-7H
InChIKeyQTFQOMVQDFBUDL-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.51
Rot. Bonds3

About 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride

4-(benzenesulfonyl)thiophene-2-sulfonyl chloride (PubChem CID 625574) has the molecular formula C10H7ClO4S3 and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(benzenesulfonyl)thiophene-2-sulfonyl chloride
PubChem CID625574
Molecular FormulaC10H7ClO4S3
Molecular Weight322.82 g/mol
Exact Mass321.92
IUPAC Name4-(benzenesulfonyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C10H7ClO4S3/c11-18(14,15)10-6-9(7-16-10)17(12,13)8-4-2-1-3-5-8/h1-7H
InChIKeyQTFQOMVQDFBUDL-UHFFFAOYSA-N
XLogP2.51
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride (CID 625574) is 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride?
The InChIKey is QTFQOMVQDFBUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4S3/c11-18(14,15)10-6-9(7-16-10)17(12,13)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride?
4-(benzenesulfonyl)thiophene-2-sulfonyl chloride has a molecular weight of 322.82 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 625574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).