2-methylbutane-2-sulfonyl chloride

C5H11ClO2S — CID 18347800

IUPAC2-methylbutane-2-sulfonyl chloride
SMILESCCC(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3
InChIKeySAKMQEBULSKIQM-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.74
Rot. Bonds2

About 2-methylbutane-2-sulfonyl chloride

2-methylbutane-2-sulfonyl chloride (PubChem CID 18347800) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 2-methylbutane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-methylbutane-2-sulfonyl chloride
PubChem CID18347800
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name2-methylbutane-2-sulfonyl chloride
SMILESCCC(C)(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3
InChIKeySAKMQEBULSKIQM-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpropane-2-sulfonyl chloride
CID 12503843
3-Methylbutane-1-sulfonyl chloride
CID 12933327
2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
1-Ethylcyclopropane-1-sulfonyl chloride
CID 58557762
1-Methylcyclobutane-1-sulfonyl chloride
CID 131496920
2-Methylpropane-2-sulfinate
CID 6411723
Dimethylpropane sulfonic acid
CID 15707019
t-Butyl sulfonate sodium salt
CID 23682520
Lithium 2-methylpropane-2-sulfonate
CID 134896192
2-Methylbutane-2-sulfonyl fluoride
CID 22935896
Fluoro 2-methylpropane-2-sulfonate
CID 140545367

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-2-sulfonyl chloride?
The IUPAC name of 2-methylbutane-2-sulfonyl chloride (CID 18347800) is 2-methylbutane-2-sulfonyl chloride.
What is the SMILES notation for 2-methylbutane-2-sulfonyl chloride?
The canonical SMILES for 2-methylbutane-2-sulfonyl chloride is CCC(C)(C)S(=O)(=O)Cl.
What is the InChIKey of 2-methylbutane-2-sulfonyl chloride?
The InChIKey is SAKMQEBULSKIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3.
What are the key properties of 2-methylbutane-2-sulfonyl chloride?
2-methylbutane-2-sulfonyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-2-sulfonyl chloride is sourced from PubChem (CID 18347800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).