hexane-3-sulfonyl chloride

C6H13ClO2S — CID 55280038

IUPAChexane-3-sulfonyl chloride
SMILESCCCC(CC)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-3-5-6(4-2)10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyVGAVSZUJLYKYPO-UHFFFAOYSA-N
MW184.69 g/mol
LogP2.13
Rot. Bonds4

About hexane-3-sulfonyl chloride

hexane-3-sulfonyl chloride (PubChem CID 55280038) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is hexane-3-sulfonyl chloride.

Molecular Properties

Compound Namehexane-3-sulfonyl chloride
PubChem CID55280038
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Namehexane-3-sulfonyl chloride
SMILESCCCC(CC)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-3-5-6(4-2)10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyVGAVSZUJLYKYPO-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hexane-3-sulfonyl chloride?
The IUPAC name of hexane-3-sulfonyl chloride (CID 55280038) is hexane-3-sulfonyl chloride.
What is the SMILES notation for hexane-3-sulfonyl chloride?
The canonical SMILES for hexane-3-sulfonyl chloride is CCCC(CC)S(=O)(=O)Cl.
What is the InChIKey of hexane-3-sulfonyl chloride?
The InChIKey is VGAVSZUJLYKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-3-5-6(4-2)10(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of hexane-3-sulfonyl chloride?
hexane-3-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-3-sulfonyl chloride is sourced from PubChem (CID 55280038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).