2,2,3-trimethylbutane-1-sulfonyl chloride

C7H15ClO2S — CID 86775547

IUPAC2,2,3-trimethylbutane-1-sulfonyl chloride
SMILESCC(C)C(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2)7(3,4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKeyBUYBIZNSGFHMJB-UHFFFAOYSA-N
MW198.71 g/mol
LogP2.24
Rot. Bonds3

About 2,2,3-trimethylbutane-1-sulfonyl chloride

2,2,3-trimethylbutane-1-sulfonyl chloride (PubChem CID 86775547) has the molecular formula C7H15ClO2S and a molecular weight of 198.71 g/mol. Its IUPAC name is 2,2,3-trimethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2,3-trimethylbutane-1-sulfonyl chloride
PubChem CID86775547
Molecular FormulaC7H15ClO2S
Molecular Weight198.71 g/mol
Exact Mass198.05
IUPAC Name2,2,3-trimethylbutane-1-sulfonyl chloride
SMILESCC(C)C(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO2S/c1-6(2)7(3,4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKeyBUYBIZNSGFHMJB-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylbutane-1-sulfonyl chloride?
The IUPAC name of 2,2,3-trimethylbutane-1-sulfonyl chloride (CID 86775547) is 2,2,3-trimethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2,2,3-trimethylbutane-1-sulfonyl chloride?
The canonical SMILES for 2,2,3-trimethylbutane-1-sulfonyl chloride is CC(C)C(C)(C)CS(=O)(=O)Cl.
What is the InChIKey of 2,2,3-trimethylbutane-1-sulfonyl chloride?
The InChIKey is BUYBIZNSGFHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2S/c1-6(2)7(3,4)5-11(8,9)10/h6H,5H2,1-4H3.
What are the key properties of 2,2,3-trimethylbutane-1-sulfonyl chloride?
2,2,3-trimethylbutane-1-sulfonyl chloride has a molecular weight of 198.71 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 86775547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).