4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C15H12Cl2N2O4S3 — CID 1092371

IUPAC4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESO=S(=O)(N=C1SCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N2O4S3/c16-11-1-5-13(6-2-11)25(20,21)18-15-19(9-10-24-15)26(22,23)14-7-3-12(17)4-8-14/h1-8H,9-10H2
InChIKeyWDIJZQORKGIPPO-UHFFFAOYSA-N
MW451.38 g/mol
LogP3.48
Rot. Bonds4

About 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide

4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 1092371) has the molecular formula C15H12Cl2N2O4S3 and a molecular weight of 451.38 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID1092371
Molecular FormulaC15H12Cl2N2O4S3
Molecular Weight451.38 g/mol
Exact Mass449.93
IUPAC Name4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESO=S(=O)(N=C1SCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N2O4S3/c16-11-1-5-13(6-2-11)25(20,21)18-15-19(9-10-24-15)26(22,23)14-7-3-12(17)4-8-14/h1-8H,9-10H2
InChIKeyWDIJZQORKGIPPO-UHFFFAOYSA-N
XLogP3.48
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 1092371) is 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide is O=S(=O)(N=C1SCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is WDIJZQORKGIPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S3/c16-11-1-5-13(6-2-11)25(20,21)18-15-19(9-10-24-15)26(22,23)14-7-3-12(17)4-8-14/h1-8H,9-10H2.
What are the key properties of 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 451.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-chlorophenyl)sulfonyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 1092371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).