(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide

C23H18Cl3NO3S2 — CID 134919732

IUPAC(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\O[C@H](Sc3ccc(Cl)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1
InChIInChI=1S/C23H18Cl3NO3S2/c1-15-7-13-19(14-8-15)32(28,29)27-22-23(25,26)20(16-5-3-2-4-6-16)21(30-22)31-18-11-9-17(24)10-12-18/h2-14,20-21H,1H3/b27-22-/t20-,21-/m1/s1
InChIKeyKVESWNBMNZLYJO-YYXDIRPJSA-N
MW526.89 g/mol
LogP6.84
Rot. Bonds5

About (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 134919732) has the molecular formula C23H18Cl3NO3S2 and a molecular weight of 526.89 g/mol. Its IUPAC name is (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID134919732
Molecular FormulaC23H18Cl3NO3S2
Molecular Weight526.89 g/mol
Exact Mass524.98
IUPAC Name(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\O[C@H](Sc3ccc(Cl)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1
InChIInChI=1S/C23H18Cl3NO3S2/c1-15-7-13-19(14-8-15)32(28,29)27-22-23(25,26)20(16-5-3-2-4-6-16)21(30-22)31-18-11-9-17(24)10-12-18/h2-14,20-21H,1H3/b27-22-/t20-,21-/m1/s1
InChIKeyKVESWNBMNZLYJO-YYXDIRPJSA-N
XLogP6.84
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.89
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide 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 (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide (CID 134919732) is (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2\O[C@H](Sc3ccc(Cl)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1.
What is the InChIKey of (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is KVESWNBMNZLYJO-YYXDIRPJSA-N. The full InChI is InChI=1S/C23H18Cl3NO3S2/c1-15-7-13-19(14-8-15)32(28,29)27-22-23(25,26)20(16-5-3-2-4-6-16)21(30-22)31-18-11-9-17(24)10-12-18/h2-14,20-21H,1H3/b27-22-/t20-,21-/m1/s1.
What are the key properties of (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 526.89 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4R,5R)-3,3-dichloro-5-(4-chlorophenyl)sulfanyl-4-phenyloxolan-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134919732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).