5-phenylthiophene-2-sulfonyl chloride

C10H7ClO2S2 — CID 13425725

IUPAC5-phenylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyNHRKTBLHJKMFTP-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.34
Rot. Bonds2

About 5-phenylthiophene-2-sulfonyl chloride

5-phenylthiophene-2-sulfonyl chloride (PubChem CID 13425725) has the molecular formula C10H7ClO2S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-phenylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-phenylthiophene-2-sulfonyl chloride
PubChem CID13425725
Molecular FormulaC10H7ClO2S2
Molecular Weight258.75 g/mol
Exact Mass257.96
IUPAC Name5-phenylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyNHRKTBLHJKMFTP-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylthiophene-2-sulfonyl chloride?
The IUPAC name of 5-phenylthiophene-2-sulfonyl chloride (CID 13425725) is 5-phenylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-phenylthiophene-2-sulfonyl chloride?
The canonical SMILES for 5-phenylthiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 5-phenylthiophene-2-sulfonyl chloride?
The InChIKey is NHRKTBLHJKMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-phenylthiophene-2-sulfonyl chloride?
5-phenylthiophene-2-sulfonyl chloride has a molecular weight of 258.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 13425725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).