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

C4H7ClN2O2S — CID 55279822

IUPACN-(2-cyanopropan-2-yl)sulfamoyl chloride
SMILESCC(C)(C#N)NS(=O)(=O)Cl
InChIInChI=1S/C4H7ClN2O2S/c1-4(2,3-6)7-10(5,8)9/h7H,1-2H3
InChIKeySTUMUIKKCDJREH-UHFFFAOYSA-N
MW182.63 g/mol
LogP0.36
Rot. Bonds2

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

N-(2-cyanopropan-2-yl)sulfamoyl chloride (PubChem CID 55279822) has the molecular formula C4H7ClN2O2S and a molecular weight of 182.63 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)sulfamoyl chloride
PubChem CID55279822
Molecular FormulaC4H7ClN2O2S
Molecular Weight182.63 g/mol
Exact Mass181.99
IUPAC NameN-(2-cyanopropan-2-yl)sulfamoyl chloride
SMILESCC(C)(C#N)NS(=O)(=O)Cl
InChIInChI=1S/C4H7ClN2O2S/c1-4(2,3-6)7-10(5,8)9/h7H,1-2H3
InChIKeySTUMUIKKCDJREH-UHFFFAOYSA-N
XLogP0.36
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.63
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(2-cyanopropan-2-yl)sulfamoyl chloride (CID 55279822) is N-(2-cyanopropan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(2-cyanopropan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(2-cyanopropan-2-yl)sulfamoyl chloride is CC(C)(C#N)NS(=O)(=O)Cl.
What is the InChIKey of N-(2-cyanopropan-2-yl)sulfamoyl chloride?
The InChIKey is STUMUIKKCDJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2O2S/c1-4(2,3-6)7-10(5,8)9/h7H,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)sulfamoyl chloride?
N-(2-cyanopropan-2-yl)sulfamoyl chloride has a molecular weight of 182.63 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 55279822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).