N-(1,2,2-trichloroethenylsulfonyl)formamide

C3H2Cl3NO3S — CID 57313266

IUPACN-(1,2,2-trichloroethenylsulfonyl)formamide
SMILESO=CNS(=O)(=O)C(Cl)=C(Cl)Cl
InChIInChI=1S/C3H2Cl3NO3S/c4-2(5)3(6)11(9,10)7-1-8/h1H,(H,7,8)
InChIKeyZMRPXINENHATFD-UHFFFAOYSA-N
MW238.48 g/mol
LogP0.91
Rot. Bonds3

About N-(1,2,2-trichloroethenylsulfonyl)formamide

N-(1,2,2-trichloroethenylsulfonyl)formamide (PubChem CID 57313266) has the molecular formula C3H2Cl3NO3S and a molecular weight of 238.48 g/mol. Its IUPAC name is N-(1,2,2-trichloroethenylsulfonyl)formamide.

Molecular Properties

Compound NameN-(1,2,2-trichloroethenylsulfonyl)formamide
PubChem CID57313266
Molecular FormulaC3H2Cl3NO3S
Molecular Weight238.48 g/mol
Exact Mass236.88
IUPAC NameN-(1,2,2-trichloroethenylsulfonyl)formamide
SMILESO=CNS(=O)(=O)C(Cl)=C(Cl)Cl
InChIInChI=1S/C3H2Cl3NO3S/c4-2(5)3(6)11(9,10)7-1-8/h1H,(H,7,8)
InChIKeyZMRPXINENHATFD-UHFFFAOYSA-N
XLogP0.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.48
LogP ≤ 50.91
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-(1,2,2-trichloroethenylsulfonyl)formamide?
The IUPAC name of N-(1,2,2-trichloroethenylsulfonyl)formamide (CID 57313266) is N-(1,2,2-trichloroethenylsulfonyl)formamide.
What is the SMILES notation for N-(1,2,2-trichloroethenylsulfonyl)formamide?
The canonical SMILES for N-(1,2,2-trichloroethenylsulfonyl)formamide is O=CNS(=O)(=O)C(Cl)=C(Cl)Cl.
What is the InChIKey of N-(1,2,2-trichloroethenylsulfonyl)formamide?
The InChIKey is ZMRPXINENHATFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl3NO3S/c4-2(5)3(6)11(9,10)7-1-8/h1H,(H,7,8).
What are the key properties of N-(1,2,2-trichloroethenylsulfonyl)formamide?
N-(1,2,2-trichloroethenylsulfonyl)formamide has a molecular weight of 238.48 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trichloroethenylsulfonyl)formamide is sourced from PubChem (CID 57313266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).