2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide

C7H2Cl2FNO3S — CID 103089955

IUPAC2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide
SMILESO=C=NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C7H2Cl2FNO3S/c8-4-1-2-5(6(9)7(4)10)15(13,14)11-3-12/h1-2H
InChIKeyGJAPLAFOLIZKFD-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.16
Rot. Bonds2

About 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide (PubChem CID 103089955) has the molecular formula C7H2Cl2FNO3S and a molecular weight of 270.07 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide
PubChem CID103089955
Molecular FormulaC7H2Cl2FNO3S
Molecular Weight270.07 g/mol
Exact Mass268.91
IUPAC Name2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide
SMILESO=C=NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C7H2Cl2FNO3S/c8-4-1-2-5(6(9)7(4)10)15(13,14)11-3-12/h1-2H
InChIKeyGJAPLAFOLIZKFD-UHFFFAOYSA-N
XLogP2.16
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide (CID 103089955) is 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide is O=C=NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is GJAPLAFOLIZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FNO3S/c8-4-1-2-5(6(9)7(4)10)15(13,14)11-3-12/h1-2H.
What are the key properties of 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 270.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 103089955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).