N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride

C5H8ClNO2S — CID 156808708

IUPACN-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NC12CC(C1)C2
InChIInChI=1S/C5H8ClNO2S/c6-10(8,9)7-5-1-4(2-5)3-5/h4,7H,1-3H2
InChIKeyQCQNWKINWHMNGN-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.61
Rot. Bonds2

About N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride

N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride (PubChem CID 156808708) has the molecular formula C5H8ClNO2S and a molecular weight of 181.64 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride
PubChem CID156808708
Molecular FormulaC5H8ClNO2S
Molecular Weight181.64 g/mol
Exact Mass181.00
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NC12CC(C1)C2
InChIInChI=1S/C5H8ClNO2S/c6-10(8,9)7-5-1-4(2-5)3-5/h4,7H,1-3H2
InChIKeyQCQNWKINWHMNGN-UHFFFAOYSA-N
XLogP0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride (CID 156808708) is N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride is O=S(=O)(Cl)NC12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride?
The InChIKey is QCQNWKINWHMNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2S/c6-10(8,9)7-5-1-4(2-5)3-5/h4,7H,1-3H2.
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride?
N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride has a molecular weight of 181.64 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)sulfamoyl chloride is sourced from PubChem (CID 156808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).