N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide

C8H5Cl3F3N2O2PS — CID 135083255

IUPACN'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide
SMILESO=S(=O)(/N=C(\N=P(Cl)(Cl)Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H5Cl3F3N2O2PS/c9-19(10,11)15-7(8(12,13)14)16-20(17,18)6-4-2-1-3-5-6/h1-5H/b16-7-
InChIKeyZYQJOWUPTIDMOE-APSNUPSMSA-N
MW387.53 g/mol
LogP5.00
Rot. Bonds2

About N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide

N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide (PubChem CID 135083255) has the molecular formula C8H5Cl3F3N2O2PS and a molecular weight of 387.53 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide
PubChem CID135083255
Molecular FormulaC8H5Cl3F3N2O2PS
Molecular Weight387.53 g/mol
Exact Mass385.88
IUPAC NameN'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide
SMILESO=S(=O)(/N=C(\N=P(Cl)(Cl)Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H5Cl3F3N2O2PS/c9-19(10,11)15-7(8(12,13)14)16-20(17,18)6-4-2-1-3-5-6/h1-5H/b16-7-
InChIKeyZYQJOWUPTIDMOE-APSNUPSMSA-N
XLogP5.00
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide?
The IUPAC name of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide (CID 135083255) is N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide is O=S(=O)(/N=C(\N=P(Cl)(Cl)Cl)C(F)(F)F)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide?
The InChIKey is ZYQJOWUPTIDMOE-APSNUPSMSA-N. The full InChI is InChI=1S/C8H5Cl3F3N2O2PS/c9-19(10,11)15-7(8(12,13)14)16-20(17,18)6-4-2-1-3-5-6/h1-5H/b16-7-.
What are the key properties of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide?
N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide has a molecular weight of 387.53 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(trichloro-λ5-phosphanylidene)ethanimidamide is sourced from PubChem (CID 135083255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).