1-chloro-1-(1-chlorobutylsulfonyl)butane

C8H16Cl2O2S — CID 88536433

IUPAC1-chloro-1-(1-chlorobutylsulfonyl)butane
SMILESCCCC(Cl)S(=O)(=O)C(Cl)CCC
InChIInChI=1S/C8H16Cl2O2S/c1-3-5-7(9)13(11,12)8(10)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWMTZUHFQXUCBDE-UHFFFAOYSA-N
MW247.19 g/mol
LogP3.13
Rot. Bonds6

About 1-chloro-1-(1-chlorobutylsulfonyl)butane

1-chloro-1-(1-chlorobutylsulfonyl)butane (PubChem CID 88536433) has the molecular formula C8H16Cl2O2S and a molecular weight of 247.19 g/mol. Its IUPAC name is 1-chloro-1-(1-chlorobutylsulfonyl)butane.

Molecular Properties

Compound Name1-chloro-1-(1-chlorobutylsulfonyl)butane
PubChem CID88536433
Molecular FormulaC8H16Cl2O2S
Molecular Weight247.19 g/mol
Exact Mass246.02
IUPAC Name1-chloro-1-(1-chlorobutylsulfonyl)butane
SMILESCCCC(Cl)S(=O)(=O)C(Cl)CCC
InChIInChI=1S/C8H16Cl2O2S/c1-3-5-7(9)13(11,12)8(10)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWMTZUHFQXUCBDE-UHFFFAOYSA-N
XLogP3.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 53.13
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

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3-chlorohexane-1-sulfonyl chloride
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4-[1-(3-propylhexan-2-ylsulfonyl)ethyl]heptane
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disodium;1-chlorobutan-1-ol;hydrogen sulfate;chloride
CID 158223415
4-butan-2-ylsulfonylheptane
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[(4S,5S)-5-chlorooctan-4-yl] methanesulfonate
CID 135043734
1-chloro-1-nitrosobutane
CID 91441735
1-chlorobutyl(ethyl)phosphinic acid
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potassium 1-chloropropane-1-sulfonate
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CID 23323737

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1-chlorobutylsulfonyl)butane?
The IUPAC name of 1-chloro-1-(1-chlorobutylsulfonyl)butane (CID 88536433) is 1-chloro-1-(1-chlorobutylsulfonyl)butane.
What is the SMILES notation for 1-chloro-1-(1-chlorobutylsulfonyl)butane?
The canonical SMILES for 1-chloro-1-(1-chlorobutylsulfonyl)butane is CCCC(Cl)S(=O)(=O)C(Cl)CCC.
What is the InChIKey of 1-chloro-1-(1-chlorobutylsulfonyl)butane?
The InChIKey is WMTZUHFQXUCBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O2S/c1-3-5-7(9)13(11,12)8(10)6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-chloro-1-(1-chlorobutylsulfonyl)butane?
1-chloro-1-(1-chlorobutylsulfonyl)butane has a molecular weight of 247.19 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1-chlorobutylsulfonyl)butane is sourced from PubChem (CID 88536433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).