N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride

C7H16ClNO2S — CID 55279942

IUPACN-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride
SMILESCC(C)(C)C(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C7H16ClNO2S/c1-6(2,3)7(4,5)9-12(8,10)11/h9H,1-5H3
InChIKeyCXPXYAZEKAGJDM-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.88
Rot. Bonds2

About N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride

N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride (PubChem CID 55279942) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride
PubChem CID55279942
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC NameN-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride
SMILESCC(C)(C)C(C)(C)NS(=O)(=O)Cl
InChIInChI=1S/C7H16ClNO2S/c1-6(2,3)7(4,5)9-12(8,10)11/h9H,1-5H3
InChIKeyCXPXYAZEKAGJDM-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 12708042
CID 12708042
CID 20641442
CID 20641442
CID 114958284
CID 114958284

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride (CID 55279942) is N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride is CC(C)(C)C(C)(C)NS(=O)(=O)Cl.
What is the InChIKey of N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride?
The InChIKey is CXPXYAZEKAGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-6(2,3)7(4,5)9-12(8,10)11/h9H,1-5H3.
What are the key properties of N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride?
N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride has a molecular weight of 213.73 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylbutan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 55279942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).