N-(1-chloroprop-2-enyl)sulfamoyl chloride

C3H5Cl2NO2S — CID 87197116

IUPACN-(1-chloroprop-2-enyl)sulfamoyl chloride
SMILESC=CC(Cl)NS(=O)(=O)Cl
InChIInChI=1S/C3H5Cl2NO2S/c1-2-3(4)6-9(5,7)8/h2-3,6H,1H2
InChIKeyLFAMVMUJGFKJAQ-UHFFFAOYSA-N
MW190.05 g/mol
LogP0.81
Rot. Bonds3

About N-(1-chloroprop-2-enyl)sulfamoyl chloride

N-(1-chloroprop-2-enyl)sulfamoyl chloride (PubChem CID 87197116) has the molecular formula C3H5Cl2NO2S and a molecular weight of 190.05 g/mol. Its IUPAC name is N-(1-chloroprop-2-enyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(1-chloroprop-2-enyl)sulfamoyl chloride
PubChem CID87197116
Molecular FormulaC3H5Cl2NO2S
Molecular Weight190.05 g/mol
Exact Mass188.94
IUPAC NameN-(1-chloroprop-2-enyl)sulfamoyl chloride
SMILESC=CC(Cl)NS(=O)(=O)Cl
InChIInChI=1S/C3H5Cl2NO2S/c1-2-3(4)6-9(5,7)8/h2-3,6H,1H2
InChIKeyLFAMVMUJGFKJAQ-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloroprop-2-enyl)sulfamoyl chloride?
The IUPAC name of N-(1-chloroprop-2-enyl)sulfamoyl chloride (CID 87197116) is N-(1-chloroprop-2-enyl)sulfamoyl chloride.
What is the SMILES notation for N-(1-chloroprop-2-enyl)sulfamoyl chloride?
The canonical SMILES for N-(1-chloroprop-2-enyl)sulfamoyl chloride is C=CC(Cl)NS(=O)(=O)Cl.
What is the InChIKey of N-(1-chloroprop-2-enyl)sulfamoyl chloride?
The InChIKey is LFAMVMUJGFKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2NO2S/c1-2-3(4)6-9(5,7)8/h2-3,6H,1H2.
What are the key properties of N-(1-chloroprop-2-enyl)sulfamoyl chloride?
N-(1-chloroprop-2-enyl)sulfamoyl chloride has a molecular weight of 190.05 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloroprop-2-enyl)sulfamoyl chloride is sourced from PubChem (CID 87197116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).