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

C8H6Cl3NO2S — CID 23260965

IUPAC(NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide
SMILESO=S(=O)(/N=C\C(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/b12-6-
InChIKeyJHXMVQKJYPRCEE-SDQBBNPISA-N
MW286.57 g/mol
LogP2.82
Rot. Bonds2

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

(NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide (PubChem CID 23260965) has the molecular formula C8H6Cl3NO2S and a molecular weight of 286.57 g/mol. Its IUPAC name is (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide
PubChem CID23260965
Molecular FormulaC8H6Cl3NO2S
Molecular Weight286.57 g/mol
Exact Mass284.92
IUPAC Name(NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide
SMILESO=S(=O)(/N=C\C(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/b12-6-
InChIKeyJHXMVQKJYPRCEE-SDQBBNPISA-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 (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide (CID 23260965) is (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide is O=S(=O)(/N=C\C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide?
The InChIKey is JHXMVQKJYPRCEE-SDQBBNPISA-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/b12-6-.
What are the key properties of (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide?
(NZ)-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 (NZ)-N-(2,2,2-trichloroethylidene)benzenesulfonamide is sourced from PubChem (CID 23260965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).