5-chloro-1-methylpyrrole-3-sulfonyl chloride

C5H5Cl2NO2S — CID 84680125

IUPAC5-chloro-1-methylpyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C5H5Cl2NO2S/c1-8-3-4(2-5(8)6)11(7,9)10/h2-3H,1H3
InChIKeyZGLIJBSUTFSLJB-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.61
Rot. Bonds1

About 5-chloro-1-methylpyrrole-3-sulfonyl chloride

5-chloro-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 84680125) has the molecular formula C5H5Cl2NO2S and a molecular weight of 214.07 g/mol. Its IUPAC name is 5-chloro-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-methylpyrrole-3-sulfonyl chloride
PubChem CID84680125
Molecular FormulaC5H5Cl2NO2S
Molecular Weight214.07 g/mol
Exact Mass212.94
IUPAC Name5-chloro-1-methylpyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C5H5Cl2NO2S/c1-8-3-4(2-5(8)6)11(7,9)10/h2-3H,1H3
InChIKeyZGLIJBSUTFSLJB-UHFFFAOYSA-N
XLogP1.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-chloro-1-methylpyrrole-3-sulfonyl chloride (CID 84680125) is 5-chloro-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-methylpyrrole-3-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 5-chloro-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is ZGLIJBSUTFSLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NO2S/c1-8-3-4(2-5(8)6)11(7,9)10/h2-3H,1H3.
What are the key properties of 5-chloro-1-methylpyrrole-3-sulfonyl chloride?
5-chloro-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 214.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 84680125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).