5-(2-methylphenyl)thiophene-2-sulfonyl chloride

C11H9ClO2S2 — CID 22998464

IUPAC5-(2-methylphenyl)thiophene-2-sulfonyl chloride
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H9ClO2S2/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)16(12,13)14/h2-7H,1H3
InChIKeyXZILMKNRTJQLMZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.65
Rot. Bonds2

About 5-(2-methylphenyl)thiophene-2-sulfonyl chloride

5-(2-methylphenyl)thiophene-2-sulfonyl chloride (PubChem CID 22998464) has the molecular formula C11H9ClO2S2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-(2-methylphenyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-methylphenyl)thiophene-2-sulfonyl chloride
PubChem CID22998464
Molecular FormulaC11H9ClO2S2
Molecular Weight272.78 g/mol
Exact Mass271.97
IUPAC Name5-(2-methylphenyl)thiophene-2-sulfonyl chloride
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H9ClO2S2/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)16(12,13)14/h2-7H,1H3
InChIKeyXZILMKNRTJQLMZ-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(2-methylphenyl)thiophene-2-sulfonyl chloride (CID 22998464) is 5-(2-methylphenyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(2-methylphenyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(2-methylphenyl)thiophene-2-sulfonyl chloride is Cc1ccccc1-c1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-(2-methylphenyl)thiophene-2-sulfonyl chloride?
The InChIKey is XZILMKNRTJQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S2/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)16(12,13)14/h2-7H,1H3.
What are the key properties of 5-(2-methylphenyl)thiophene-2-sulfonyl chloride?
5-(2-methylphenyl)thiophene-2-sulfonyl chloride has a molecular weight of 272.78 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 22998464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).