(Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide

C3H2ClNO3S — CID 134871632

IUPAC(Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide
SMILESO=C=NS(=O)(=O)/C=C\Cl
InChIInChI=1S/C3H2ClNO3S/c4-1-2-9(7,8)5-3-6/h1-2H/b2-1-
InChIKeyHPEPPPFDRRVEBZ-UPHRSURJSA-N
MW167.57 g/mol
LogP0.36
Rot. Bonds2

About (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide

(Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide (PubChem CID 134871632) has the molecular formula C3H2ClNO3S and a molecular weight of 167.57 g/mol. Its IUPAC name is (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide.

Molecular Properties

Compound Name(Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide
PubChem CID134871632
Molecular FormulaC3H2ClNO3S
Molecular Weight167.57 g/mol
Exact Mass166.94
IUPAC Name(Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide
SMILESO=C=NS(=O)(=O)/C=C\Cl
InChIInChI=1S/C3H2ClNO3S/c4-1-2-9(7,8)5-3-6/h1-2H/b2-1-
InChIKeyHPEPPPFDRRVEBZ-UPHRSURJSA-N
XLogP0.36
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.57
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide?
The IUPAC name of (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide (CID 134871632) is (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide.
What is the SMILES notation for (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide?
The canonical SMILES for (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide is O=C=NS(=O)(=O)/C=C\Cl.
What is the InChIKey of (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide?
The InChIKey is HPEPPPFDRRVEBZ-UPHRSURJSA-N. The full InChI is InChI=1S/C3H2ClNO3S/c4-1-2-9(7,8)5-3-6/h1-2H/b2-1-.
What are the key properties of (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide?
(Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide has a molecular weight of 167.57 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-(oxomethylidene)ethenesulfonamide is sourced from PubChem (CID 134871632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).