N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C21H18ClN3O3S — CID 90130539

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H18ClN3O3S/c22-19-10-7-16(14-18(19)20-4-1-2-11-23-20)24-21(26)15-5-8-17(9-6-15)25-12-3-13-29(25,27)28/h1-2,4-11,14H,3,12-13H2,(H,24,26)
InChIKeyGZTRHKKTMGDVLS-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.19
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 90130539) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID90130539
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H18ClN3O3S/c22-19-10-7-16(14-18(19)20-4-1-2-11-23-20)24-21(26)15-5-8-17(9-6-15)25-12-3-13-29(25,27)28/h1-2,4-11,14H,3,12-13H2,(H,24,26)
InChIKeyGZTRHKKTMGDVLS-UHFFFAOYSA-N
XLogP4.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 118462952
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1,1-dioxothiazepan-2-yl)benzamide
CID 118463038
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 58614731
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 90130539) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is GZTRHKKTMGDVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c22-19-10-7-16(14-18(19)20-4-1-2-11-23-20)24-21(26)15-5-8-17(9-6-15)25-12-3-13-29(25,27)28/h1-2,4-11,14H,3,12-13H2,(H,24,26).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 427.91 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 90130539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).