1-chloro-3-methoxypropane-2-sulfonyl chloride

C4H8Cl2O3S — CID 55279805

IUPAC1-chloro-3-methoxypropane-2-sulfonyl chloride
SMILESCOCC(CCl)S(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O3S/c1-9-3-4(2-5)10(6,7)8/h4H,2-3H2,1H3
InChIKeyJCODKVDNWWLGBT-UHFFFAOYSA-N
MW207.08 g/mol
LogP0.81
Rot. Bonds4

About 1-chloro-3-methoxypropane-2-sulfonyl chloride

1-chloro-3-methoxypropane-2-sulfonyl chloride (PubChem CID 55279805) has the molecular formula C4H8Cl2O3S and a molecular weight of 207.08 g/mol. Its IUPAC name is 1-chloro-3-methoxypropane-2-sulfonyl chloride.

Molecular Properties

Compound Name1-chloro-3-methoxypropane-2-sulfonyl chloride
PubChem CID55279805
Molecular FormulaC4H8Cl2O3S
Molecular Weight207.08 g/mol
Exact Mass205.96
IUPAC Name1-chloro-3-methoxypropane-2-sulfonyl chloride
SMILESCOCC(CCl)S(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O3S/c1-9-3-4(2-5)10(6,7)8/h4H,2-3H2,1H3
InChIKeyJCODKVDNWWLGBT-UHFFFAOYSA-N
XLogP0.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-chloropropane-1,2-disulfonyl chloride
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1-amino-3-methoxypropane-2-sulfonic acid
CID 87311399
3-methoxypropane-1,2-disulfonic acid
CID 58983664
1-chloro-3-methoxypropan-2-amine
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1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
CID 57109764
2-methoxyethanesulfonyl chloride
CID 13480221
3-chloro-N-(1-methoxypropan-2-yl)-N,2-dimethylpropane-1-sulfonamide
CID 79585562
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79585384
3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
CID 170915267
1-chloro-4-methoxy-3-(methoxymethyl)-2-methylbutane
CID 165442887

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxypropane-2-sulfonyl chloride?
The IUPAC name of 1-chloro-3-methoxypropane-2-sulfonyl chloride (CID 55279805) is 1-chloro-3-methoxypropane-2-sulfonyl chloride.
What is the SMILES notation for 1-chloro-3-methoxypropane-2-sulfonyl chloride?
The canonical SMILES for 1-chloro-3-methoxypropane-2-sulfonyl chloride is COCC(CCl)S(=O)(=O)Cl.
What is the InChIKey of 1-chloro-3-methoxypropane-2-sulfonyl chloride?
The InChIKey is JCODKVDNWWLGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O3S/c1-9-3-4(2-5)10(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 1-chloro-3-methoxypropane-2-sulfonyl chloride?
1-chloro-3-methoxypropane-2-sulfonyl chloride has a molecular weight of 207.08 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxypropane-2-sulfonyl chloride is sourced from PubChem (CID 55279805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).