5-bromo-1-methylpyrrole-2-sulfonyl chloride

C5H5BrClNO2S — CID 82380308

IUPAC5-bromo-1-methylpyrrole-2-sulfonyl chloride
SMILESCn1c(Br)ccc1S(=O)(=O)Cl
InChIInChI=1S/C5H5BrClNO2S/c1-8-4(6)2-3-5(8)11(7,9)10/h2-3H,1H3
InChIKeyQXJBMNIGZQQQCO-UHFFFAOYSA-N
MW258.52 g/mol
LogP1.72
Rot. Bonds1

About 5-bromo-1-methylpyrrole-2-sulfonyl chloride

5-bromo-1-methylpyrrole-2-sulfonyl chloride (PubChem CID 82380308) has the molecular formula C5H5BrClNO2S and a molecular weight of 258.52 g/mol. Its IUPAC name is 5-bromo-1-methylpyrrole-2-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-1-methylpyrrole-2-sulfonyl chloride
PubChem CID82380308
Molecular FormulaC5H5BrClNO2S
Molecular Weight258.52 g/mol
Exact Mass256.89
IUPAC Name5-bromo-1-methylpyrrole-2-sulfonyl chloride
SMILESCn1c(Br)ccc1S(=O)(=O)Cl
InChIInChI=1S/C5H5BrClNO2S/c1-8-4(6)2-3-5(8)11(7,9)10/h2-3H,1H3
InChIKeyQXJBMNIGZQQQCO-UHFFFAOYSA-N
XLogP1.72
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.52
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrrole-2-sulfonyl chloride?
The IUPAC name of 5-bromo-1-methylpyrrole-2-sulfonyl chloride (CID 82380308) is 5-bromo-1-methylpyrrole-2-sulfonyl chloride.
What is the SMILES notation for 5-bromo-1-methylpyrrole-2-sulfonyl chloride?
The canonical SMILES for 5-bromo-1-methylpyrrole-2-sulfonyl chloride is Cn1c(Br)ccc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-1-methylpyrrole-2-sulfonyl chloride?
The InChIKey is QXJBMNIGZQQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClNO2S/c1-8-4(6)2-3-5(8)11(7,9)10/h2-3H,1H3.
What are the key properties of 5-bromo-1-methylpyrrole-2-sulfonyl chloride?
5-bromo-1-methylpyrrole-2-sulfonyl chloride has a molecular weight of 258.52 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrrole-2-sulfonyl chloride is sourced from PubChem (CID 82380308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).