N-(2,2,2-trichloroethylidene)benzenesulfonamide

C8H6Cl3NO2S — CID 71364086

IUPACN-(2,2,2-trichloroethylidene)benzenesulfonamide
SMILESO=S(=O)(N=CC(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C8H6Cl3NO2S/c9-8(10,11)6-12-15(13,14)7-4-2-1-3-5-7/h1-6H
InChIKeyJHXMVQKJYPRCEE-UHFFFAOYSA-N
MW286.57 g/mol
LogP2.82
Rot. Bonds2

About N-(2,2,2-trichloroethylidene)benzenesulfonamide

N-(2,2,2-trichloroethylidene)benzenesulfonamide (PubChem CID 71364086) has the molecular formula C8H6Cl3NO2S and a molecular weight of 286.57 g/mol. Its IUPAC name is N-(2,2,2-trichloroethylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trichloroethylidene)benzenesulfonamide
PubChem CID71364086
Molecular FormulaC8H6Cl3NO2S
Molecular Weight286.57 g/mol
Exact Mass284.92
IUPAC NameN-(2,2,2-trichloroethylidene)benzenesulfonamide
SMILESO=S(=O)(N=CC(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C8H6Cl3NO2S/c9-8(10,11)6-12-15(13,14)7-4-2-1-3-5-7/h1-6H
InChIKeyJHXMVQKJYPRCEE-UHFFFAOYSA-N
XLogP2.82
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.57
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloroethylidene)benzenesulfonamide?
The IUPAC name of N-(2,2,2-trichloroethylidene)benzenesulfonamide (CID 71364086) is N-(2,2,2-trichloroethylidene)benzenesulfonamide.
What is the SMILES notation for N-(2,2,2-trichloroethylidene)benzenesulfonamide?
The canonical SMILES for N-(2,2,2-trichloroethylidene)benzenesulfonamide is O=S(=O)(N=CC(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-(2,2,2-trichloroethylidene)benzenesulfonamide?
The InChIKey is JHXMVQKJYPRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO2S/c9-8(10,11)6-12-15(13,14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of N-(2,2,2-trichloroethylidene)benzenesulfonamide?
N-(2,2,2-trichloroethylidene)benzenesulfonamide has a molecular weight of 286.57 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloroethylidene)benzenesulfonamide is sourced from PubChem (CID 71364086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).