N-(2-methylbutan-2-yl)sulfamoyl chloride

C5H12ClNO2S — CID 20641442

IUPACN-(2-methylbutan-2-yl)sulfamoyl chloride
SMILESCCC(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4-5(2,3)7-10(6,8)9/h7H,4H2,1-3H3
InChIKeyLGAFSJOVGAJIQP-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.25
Rot. Bonds3

About N-(2-methylbutan-2-yl)sulfamoyl chloride

N-(2-methylbutan-2-yl)sulfamoyl chloride (PubChem CID 20641442) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)sulfamoyl chloride
PubChem CID20641442
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-(2-methylbutan-2-yl)sulfamoyl chloride
SMILESCCC(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4-5(2,3)7-10(6,8)9/h7H,4H2,1-3H3
InChIKeyLGAFSJOVGAJIQP-UHFFFAOYSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(2-methylbutan-2-yl)sulfamoyl chloride (CID 20641442) is N-(2-methylbutan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(2-methylbutan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(2-methylbutan-2-yl)sulfamoyl chloride is CCC(C)(C)NS(=O)(=O)Cl.
What is the InChIKey of N-(2-methylbutan-2-yl)sulfamoyl chloride?
The InChIKey is LGAFSJOVGAJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-4-5(2,3)7-10(6,8)9/h7H,4H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)sulfamoyl chloride?
N-(2-methylbutan-2-yl)sulfamoyl chloride has a molecular weight of 185.68 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 20641442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).