2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide

C22H17Cl2N3O4S — CID 58614793

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C22H17Cl2N3O4S/c23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h1-8,11-12H,9-10,13H2,(H,26,28)
InChIKeyKMPWNKGWRPAVRM-UHFFFAOYSA-N
MW490.37 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide (PubChem CID 58614793) has the molecular formula C22H17Cl2N3O4S and a molecular weight of 490.37 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide
PubChem CID58614793
Molecular FormulaC22H17Cl2N3O4S
Molecular Weight490.37 g/mol
Exact Mass489.03
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C22H17Cl2N3O4S/c23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h1-8,11-12H,9-10,13H2,(H,26,28)
InChIKeyKMPWNKGWRPAVRM-UHFFFAOYSA-N
XLogP4.14
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide (CID 58614793) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)C2)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide?
The InChIKey is KMPWNKGWRPAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O4S/c23-18-7-5-15(12-17(18)20-3-1-2-8-25-20)26-21(28)16-6-4-14(11-19(16)24)22(29)27-9-10-32(30,31)13-27/h1-8,11-12H,9-10,13H2,(H,26,28).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide has a molecular weight of 490.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,3-thiazolidine-3-carbonyl)benzamide is sourced from PubChem (CID 58614793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).