N-methylidenesulfamoyl chloride

CH2ClNO2S — CID 58939083

IUPACN-methylidenesulfamoyl chloride
SMILESC=NS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO2S/c1-3-6(2,4)5/h1H2
InChIKeyXBXZSNGAZVPNRE-UHFFFAOYSA-N
MW127.55 g/mol
LogP0.17
Rot. Bonds1

About N-methylidenesulfamoyl chloride

N-methylidenesulfamoyl chloride (PubChem CID 58939083) has the molecular formula CH2ClNO2S and a molecular weight of 127.55 g/mol. Its IUPAC name is N-methylidenesulfamoyl chloride.

Molecular Properties

Compound NameN-methylidenesulfamoyl chloride
PubChem CID58939083
Molecular FormulaCH2ClNO2S
Molecular Weight127.55 g/mol
Exact Mass126.95
IUPAC NameN-methylidenesulfamoyl chloride
SMILESC=NS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO2S/c1-3-6(2,4)5/h1H2
InChIKeyXBXZSNGAZVPNRE-UHFFFAOYSA-N
XLogP0.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.55
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylidenesulfamoyl chloride?
The IUPAC name of N-methylidenesulfamoyl chloride (CID 58939083) is N-methylidenesulfamoyl chloride.
What is the SMILES notation for N-methylidenesulfamoyl chloride?
The canonical SMILES for N-methylidenesulfamoyl chloride is C=NS(=O)(=O)Cl.
What is the InChIKey of N-methylidenesulfamoyl chloride?
The InChIKey is XBXZSNGAZVPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO2S/c1-3-6(2,4)5/h1H2.
What are the key properties of N-methylidenesulfamoyl chloride?
N-methylidenesulfamoyl chloride has a molecular weight of 127.55 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenesulfamoyl chloride is sourced from PubChem (CID 58939083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).