butane-2-sulfonyl chloride

C4H9ClO2S — CID 2757336

IUPACbutane-2-sulfonyl chloride
SMILESCCC(C)S(=O)(=O)Cl
InChIInChI=1S/C4H9ClO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3
InChIKeyWKIXWKIEOCQGAF-UHFFFAOYSA-N
MW156.63 g/mol
LogP1.35
Rot. Bonds2

About butane-2-sulfonyl chloride

butane-2-sulfonyl chloride (PubChem CID 2757336) has the molecular formula C4H9ClO2S and a molecular weight of 156.63 g/mol. Its IUPAC name is butane-2-sulfonyl chloride.

Molecular Properties

Compound Namebutane-2-sulfonyl chloride
PubChem CID2757336
Molecular FormulaC4H9ClO2S
Molecular Weight156.63 g/mol
Exact Mass156.00
IUPAC Namebutane-2-sulfonyl chloride
SMILESCCC(C)S(=O)(=O)Cl
InChIInChI=1S/C4H9ClO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3
InChIKeyWKIXWKIEOCQGAF-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.63
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butane-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

Frequently Asked Questions

What is the IUPAC name of butane-2-sulfonyl chloride?
The IUPAC name of butane-2-sulfonyl chloride (CID 2757336) is butane-2-sulfonyl chloride.
What is the SMILES notation for butane-2-sulfonyl chloride?
The canonical SMILES for butane-2-sulfonyl chloride is CCC(C)S(=O)(=O)Cl.
What is the InChIKey of butane-2-sulfonyl chloride?
The InChIKey is WKIXWKIEOCQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3.
What are the key properties of butane-2-sulfonyl chloride?
butane-2-sulfonyl chloride has a molecular weight of 156.63 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2-sulfonyl chloride is sourced from PubChem (CID 2757336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).