4-methylpentane-1-sulfonyl chloride

C6H13ClO2S — CID 20532481

IUPAC4-methylpentane-1-sulfonyl chloride
SMILESCC(C)CCCS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyRSKNWLPGAZIHTP-UHFFFAOYSA-N
MW184.69 g/mol
LogP1.99
Rot. Bonds4

About 4-methylpentane-1-sulfonyl chloride

4-methylpentane-1-sulfonyl chloride (PubChem CID 20532481) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 4-methylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-methylpentane-1-sulfonyl chloride
PubChem CID20532481
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name4-methylpentane-1-sulfonyl chloride
SMILESCC(C)CCCS(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyRSKNWLPGAZIHTP-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-1-sulfonyl chloride?
The IUPAC name of 4-methylpentane-1-sulfonyl chloride (CID 20532481) is 4-methylpentane-1-sulfonyl chloride.
What is the SMILES notation for 4-methylpentane-1-sulfonyl chloride?
The canonical SMILES for 4-methylpentane-1-sulfonyl chloride is CC(C)CCCS(=O)(=O)Cl.
What is the InChIKey of 4-methylpentane-1-sulfonyl chloride?
The InChIKey is RSKNWLPGAZIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 4-methylpentane-1-sulfonyl chloride?
4-methylpentane-1-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-1-sulfonyl chloride is sourced from PubChem (CID 20532481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).