N-(2,2-dimethylbutyl)sulfamoyl chloride

C6H14ClNO2S — CID 103461001

IUPACN-(2,2-dimethylbutyl)sulfamoyl chloride
SMILESCCC(C)(C)CNS(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-4-6(2,3)5-8-11(7,9)10/h8H,4-5H2,1-3H3
InChIKeyYAZVXHIRSGYOOK-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.50
Rot. Bonds4

About N-(2,2-dimethylbutyl)sulfamoyl chloride

N-(2,2-dimethylbutyl)sulfamoyl chloride (PubChem CID 103461001) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)sulfamoyl chloride
PubChem CID103461001
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-(2,2-dimethylbutyl)sulfamoyl chloride
SMILESCCC(C)(C)CNS(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-4-6(2,3)5-8-11(7,9)10/h8H,4-5H2,1-3H3
InChIKeyYAZVXHIRSGYOOK-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)sulfamoyl chloride?
The IUPAC name of N-(2,2-dimethylbutyl)sulfamoyl chloride (CID 103461001) is N-(2,2-dimethylbutyl)sulfamoyl chloride.
What is the SMILES notation for N-(2,2-dimethylbutyl)sulfamoyl chloride?
The canonical SMILES for N-(2,2-dimethylbutyl)sulfamoyl chloride is CCC(C)(C)CNS(=O)(=O)Cl.
What is the InChIKey of N-(2,2-dimethylbutyl)sulfamoyl chloride?
The InChIKey is YAZVXHIRSGYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-4-6(2,3)5-8-11(7,9)10/h8H,4-5H2,1-3H3.
What are the key properties of N-(2,2-dimethylbutyl)sulfamoyl chloride?
N-(2,2-dimethylbutyl)sulfamoyl chloride has a molecular weight of 199.70 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)sulfamoyl chloride is sourced from PubChem (CID 103461001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).