N-(2-chloroethenylsulfonyl)formamide

C3H4ClNO3S — CID 56616652

IUPACN-(2-chloroethenylsulfonyl)formamide
SMILESO=CNS(=O)(=O)C=CCl
InChIInChI=1S/C3H4ClNO3S/c4-1-2-9(7,8)5-3-6/h1-3H,(H,5,6)
InChIKeyPKQCCGYUDIGJTD-UHFFFAOYSA-N
MW169.59 g/mol
LogP-0.23
Rot. Bonds3

About N-(2-chloroethenylsulfonyl)formamide

N-(2-chloroethenylsulfonyl)formamide (PubChem CID 56616652) has the molecular formula C3H4ClNO3S and a molecular weight of 169.59 g/mol. Its IUPAC name is N-(2-chloroethenylsulfonyl)formamide.

Molecular Properties

Compound NameN-(2-chloroethenylsulfonyl)formamide
PubChem CID56616652
Molecular FormulaC3H4ClNO3S
Molecular Weight169.59 g/mol
Exact Mass168.96
IUPAC NameN-(2-chloroethenylsulfonyl)formamide
SMILESO=CNS(=O)(=O)C=CCl
InChIInChI=1S/C3H4ClNO3S/c4-1-2-9(7,8)5-3-6/h1-3H,(H,5,6)
InChIKeyPKQCCGYUDIGJTD-UHFFFAOYSA-N
XLogP-0.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.59
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethenylsulfonyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethenylsulfonyl)formamide?
The IUPAC name of N-(2-chloroethenylsulfonyl)formamide (CID 56616652) is N-(2-chloroethenylsulfonyl)formamide.
What is the SMILES notation for N-(2-chloroethenylsulfonyl)formamide?
The canonical SMILES for N-(2-chloroethenylsulfonyl)formamide is O=CNS(=O)(=O)C=CCl.
What is the InChIKey of N-(2-chloroethenylsulfonyl)formamide?
The InChIKey is PKQCCGYUDIGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO3S/c4-1-2-9(7,8)5-3-6/h1-3H,(H,5,6).
What are the key properties of N-(2-chloroethenylsulfonyl)formamide?
N-(2-chloroethenylsulfonyl)formamide has a molecular weight of 169.59 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethenylsulfonyl)formamide is sourced from PubChem (CID 56616652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).