4-methylpentane-2-sulfonyl chloride

C6H13ClO2S — CID 54347504

IUPAC4-methylpentane-2-sulfonyl chloride
SMILESCC(C)CC(C)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyUDICPXQQCPKMFG-UHFFFAOYSA-N
MW184.69 g/mol
LogP1.99
Rot. Bonds3

About 4-methylpentane-2-sulfonyl chloride

4-methylpentane-2-sulfonyl chloride (PubChem CID 54347504) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is 4-methylpentane-2-sulfonyl chloride.

Molecular Properties

Compound Name4-methylpentane-2-sulfonyl chloride
PubChem CID54347504
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name4-methylpentane-2-sulfonyl chloride
SMILESCC(C)CC(C)S(=O)(=O)Cl
InChIInChI=1S/C6H13ClO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyUDICPXQQCPKMFG-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 4-methylpentane-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylpentane-2-sulfonamide
CID 54354651
2-chlorosulfonyloxy-4-methylpentane
CID 119097605
pent-4-ene-2-sulfonyl chloride
CID 165486149
2,4-dimethylpentane
CID 157050020
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
ethyl (3R)-3-chlorosulfonylbutanoate
CID 124537429
2,4-dimethylpentane;methane
CID 159476318
1-[(2,2,2-trifluoroacetyl)amino]propane-2-sulfonyl chloride
CID 84707964
4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
CID 106450585
bis(4-methylpentan-2-yl) methanedisulfonate
CID 89483101
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699
5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
CID 53395510

Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-2-sulfonyl chloride?
The IUPAC name of 4-methylpentane-2-sulfonyl chloride (CID 54347504) is 4-methylpentane-2-sulfonyl chloride.
What is the SMILES notation for 4-methylpentane-2-sulfonyl chloride?
The canonical SMILES for 4-methylpentane-2-sulfonyl chloride is CC(C)CC(C)S(=O)(=O)Cl.
What is the InChIKey of 4-methylpentane-2-sulfonyl chloride?
The InChIKey is UDICPXQQCPKMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 4-methylpentane-2-sulfonyl chloride?
4-methylpentane-2-sulfonyl chloride has a molecular weight of 184.69 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-2-sulfonyl chloride is sourced from PubChem (CID 54347504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).