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

C4H8Cl2O2S — CID 135077312

IUPAC1-chloro-2-methylpropane-2-sulfonyl chloride
SMILESCC(C)(CCl)S(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O2S/c1-4(2,3-5)9(6,7)8/h3H2,1-2H3
InChIKeyDDXNHLCECINNAX-UHFFFAOYSA-N
MW191.08 g/mol
LogP1.57
Rot. Bonds2

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

1-chloro-2-methylpropane-2-sulfonyl chloride (PubChem CID 135077312) has the molecular formula C4H8Cl2O2S and a molecular weight of 191.08 g/mol. Its IUPAC name is 1-chloro-2-methylpropane-2-sulfonyl chloride.

Molecular Properties

Compound Name1-chloro-2-methylpropane-2-sulfonyl chloride
PubChem CID135077312
Molecular FormulaC4H8Cl2O2S
Molecular Weight191.08 g/mol
Exact Mass189.96
IUPAC Name1-chloro-2-methylpropane-2-sulfonyl chloride
SMILESCC(C)(CCl)S(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O2S/c1-4(2,3-5)9(6,7)8/h3H2,1-2H3
InChIKeyDDXNHLCECINNAX-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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Related Compounds

3-chloro-2,2-dimethylpropane-1-sulfonyl chloride
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1,1-diiodoethanesulfonyl chloride
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2,3,3-trimethylbutane-2-sulfonyl chloride
CID 116866363
2-chloro-2-methylpropane-1-sulfonyl chloride
CID 55280039
dichloromethane;methane;sulfuryl dichloride
CID 174545901
1-chloro-2,2-dimethylpropane;zinc
CID 87488249
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
CID 106734842
potassium;methane;2-methylpropan-2-olate;sulfuryl dichloride
CID 173139081
3-(chloromethyl)-1-ethylsulfonyl-3-methylpentane
CID 66035858
N-(2-methylbutan-2-yl)sulfamoyl chloride
CID 20641442
2-methylpentane-2-sulfonyl bromide
CID 22935886
Bis(chlorosulfonyl)imide potassium salt
CID 171370683

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylpropane-2-sulfonyl chloride?
The IUPAC name of 1-chloro-2-methylpropane-2-sulfonyl chloride (CID 135077312) is 1-chloro-2-methylpropane-2-sulfonyl chloride.
What is the SMILES notation for 1-chloro-2-methylpropane-2-sulfonyl chloride?
The canonical SMILES for 1-chloro-2-methylpropane-2-sulfonyl chloride is CC(C)(CCl)S(=O)(=O)Cl.
What is the InChIKey of 1-chloro-2-methylpropane-2-sulfonyl chloride?
The InChIKey is DDXNHLCECINNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2S/c1-4(2,3-5)9(6,7)8/h3H2,1-2H3.
What are the key properties of 1-chloro-2-methylpropane-2-sulfonyl chloride?
1-chloro-2-methylpropane-2-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 1-chloro-2-methylpropane-2-sulfonyl chloride is sourced from PubChem (CID 135077312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).