2-chloro-2-methylpropane-1-sulfonyl chloride

C4H8Cl2O2S — CID 55280039

IUPAC2-chloro-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(Cl)CS(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O2S/c1-4(2,5)3-9(6,7)8/h3H2,1-2H3
InChIKeyFDGAHRPYXUJLGU-UHFFFAOYSA-N
MW191.08 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-2-methylpropane-1-sulfonyl chloride

2-chloro-2-methylpropane-1-sulfonyl chloride (PubChem CID 55280039) has the molecular formula C4H8Cl2O2S and a molecular weight of 191.08 g/mol. Its IUPAC name is 2-chloro-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-2-methylpropane-1-sulfonyl chloride
PubChem CID55280039
Molecular FormulaC4H8Cl2O2S
Molecular Weight191.08 g/mol
Exact Mass189.96
IUPAC Name2-chloro-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(Cl)CS(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O2S/c1-4(2,5)3-9(6,7)8/h3H2,1-2H3
InChIKeyFDGAHRPYXUJLGU-UHFFFAOYSA-N
XLogP1.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-chloro-2-methylpropane-1-sulfonyl chloride (CID 55280039) is 2-chloro-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-chloro-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-chloro-2-methylpropane-1-sulfonyl chloride is CC(C)(Cl)CS(=O)(=O)Cl.
What is the InChIKey of 2-chloro-2-methylpropane-1-sulfonyl chloride?
The InChIKey is FDGAHRPYXUJLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2S/c1-4(2,5)3-9(6,7)8/h3H2,1-2H3.
What are the key properties of 2-chloro-2-methylpropane-1-sulfonyl chloride?
2-chloro-2-methylpropane-1-sulfonyl chloride has a molecular weight of 191.08 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 55280039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).