N-(1,2-dichloroethenylsulfonyl)formamide

C3H3Cl2NO3S — CID 56982242

IUPACN-(1,2-dichloroethenylsulfonyl)formamide
SMILESO=CNS(=O)(=O)C(Cl)=CCl
InChIInChI=1S/C3H3Cl2NO3S/c4-1-3(5)10(8,9)6-2-7/h1-2H,(H,6,7)
InChIKeyPXYYCUJVOGRPAX-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.34
Rot. Bonds3

About N-(1,2-dichloroethenylsulfonyl)formamide

N-(1,2-dichloroethenylsulfonyl)formamide (PubChem CID 56982242) has the molecular formula C3H3Cl2NO3S and a molecular weight of 204.03 g/mol. Its IUPAC name is N-(1,2-dichloroethenylsulfonyl)formamide.

Molecular Properties

Compound NameN-(1,2-dichloroethenylsulfonyl)formamide
PubChem CID56982242
Molecular FormulaC3H3Cl2NO3S
Molecular Weight204.03 g/mol
Exact Mass202.92
IUPAC NameN-(1,2-dichloroethenylsulfonyl)formamide
SMILESO=CNS(=O)(=O)C(Cl)=CCl
InChIInChI=1S/C3H3Cl2NO3S/c4-1-3(5)10(8,9)6-2-7/h1-2H,(H,6,7)
InChIKeyPXYYCUJVOGRPAX-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dichloroethenylsulfonyl)formamide?
The IUPAC name of N-(1,2-dichloroethenylsulfonyl)formamide (CID 56982242) is N-(1,2-dichloroethenylsulfonyl)formamide.
What is the SMILES notation for N-(1,2-dichloroethenylsulfonyl)formamide?
The canonical SMILES for N-(1,2-dichloroethenylsulfonyl)formamide is O=CNS(=O)(=O)C(Cl)=CCl.
What is the InChIKey of N-(1,2-dichloroethenylsulfonyl)formamide?
The InChIKey is PXYYCUJVOGRPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2NO3S/c4-1-3(5)10(8,9)6-2-7/h1-2H,(H,6,7).
What are the key properties of N-(1,2-dichloroethenylsulfonyl)formamide?
N-(1,2-dichloroethenylsulfonyl)formamide has a molecular weight of 204.03 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dichloroethenylsulfonyl)formamide is sourced from PubChem (CID 56982242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).