2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride

C7H10ClNO2S — CID 116866394

IUPAC2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride
SMILESCC(C)(c1ccc[nH]1)S(=O)(=O)Cl
InChIInChI=1S/C7H10ClNO2S/c1-7(2,12(8,10)11)6-4-3-5-9-6/h3-5,9H,1-2H3
InChIKeyZCAAUSRMIQDIGE-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.82
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride

2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride (PubChem CID 116866394) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride
PubChem CID116866394
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride
SMILESCC(C)(c1ccc[nH]1)S(=O)(=O)Cl
InChIInChI=1S/C7H10ClNO2S/c1-7(2,12(8,10)11)6-4-3-5-9-6/h3-5,9H,1-2H3
InChIKeyZCAAUSRMIQDIGE-UHFFFAOYSA-N
XLogP1.82
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride?
The IUPAC name of 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride (CID 116866394) is 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride?
The canonical SMILES for 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride is CC(C)(c1ccc[nH]1)S(=O)(=O)Cl.
What is the InChIKey of 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride?
The InChIKey is ZCAAUSRMIQDIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S/c1-7(2,12(8,10)11)6-4-3-5-9-6/h3-5,9H,1-2H3.
What are the key properties of 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride?
2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride has a molecular weight of 207.68 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)propane-2-sulfonyl chloride is sourced from PubChem (CID 116866394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).