2-methylbutane-1-sulfonyl chloride

C5H11ClO2S — CID 20532502

IUPAC2-methylbutane-1-sulfonyl chloride
SMILESCCC(C)CS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKeyJLBKFFNJUYWPMW-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.60
Rot. Bonds3

About 2-methylbutane-1-sulfonyl chloride

2-methylbutane-1-sulfonyl chloride (PubChem CID 20532502) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 2-methylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methylbutane-1-sulfonyl chloride
PubChem CID20532502
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name2-methylbutane-1-sulfonyl chloride
SMILESCCC(C)CS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKeyJLBKFFNJUYWPMW-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylbutane-1-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

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-1-sulfonyl chloride?
The IUPAC name of 2-methylbutane-1-sulfonyl chloride (CID 20532502) is 2-methylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-methylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-methylbutane-1-sulfonyl chloride is CCC(C)CS(=O)(=O)Cl.
What is the InChIKey of 2-methylbutane-1-sulfonyl chloride?
The InChIKey is JLBKFFNJUYWPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-methylbutane-1-sulfonyl chloride?
2-methylbutane-1-sulfonyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-1-sulfonyl chloride is sourced from PubChem (CID 20532502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).