4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C19H19Cl2N3O3S2 — CID 16551169

IUPAC4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1/N=C1\SCCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O3S2/c1-13-16(21)4-3-5-17(13)22-19-24(10-11-28-19)18(25)12-23(2)29(26,27)15-8-6-14(20)7-9-15/h3-9H,10-12H2,1-2H3/b22-19-
InChIKeyRFYMKHNKHZTUTE-QOCHGBHMSA-N
MW472.42 g/mol
LogP4.19
Rot. Bonds5

About 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 16551169) has the molecular formula C19H19Cl2N3O3S2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID16551169
Molecular FormulaC19H19Cl2N3O3S2
Molecular Weight472.42 g/mol
Exact Mass471.02
IUPAC Name4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1/N=C1\SCCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O3S2/c1-13-16(21)4-3-5-17(13)22-19-24(10-11-28-19)18(25)12-23(2)29(26,27)15-8-6-14(20)7-9-15/h3-9H,10-12H2,1-2H3/b22-19-
InChIKeyRFYMKHNKHZTUTE-QOCHGBHMSA-N
XLogP4.19
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.19
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-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 16551169) is 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is RFYMKHNKHZTUTE-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S2/c1-13-16(21)4-3-5-17(13)22-19-24(10-11-28-19)18(25)12-23(2)29(26,27)15-8-6-14(20)7-9-15/h3-9H,10-12H2,1-2H3/b22-19-.
What are the key properties of 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 472.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 16551169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).