N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C15H14ClN3O3S — CID 51250658

IUPACN-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H14ClN3O3S/c16-12-4-7-14(17-10-12)18-15(20)11-2-5-13(6-3-11)19-8-1-9-23(19,21)22/h2-7,10H,1,8-9H2,(H,17,18,20)
InChIKeyLIWVDMIOCMOYME-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.53
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 51250658) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID51250658
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H14ClN3O3S/c16-12-4-7-14(17-10-12)18-15(20)11-2-5-13(6-3-11)19-8-1-9-23(19,21)22/h2-7,10H,1,8-9H2,(H,17,18,20)
InChIKeyLIWVDMIOCMOYME-UHFFFAOYSA-N
XLogP2.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7685602
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 46537091
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 24523242

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 51250658) is N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)cn1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is LIWVDMIOCMOYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c16-12-4-7-14(17-10-12)18-15(20)11-2-5-13(6-3-11)19-8-1-9-23(19,21)22/h2-7,10H,1,8-9H2,(H,17,18,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 351.82 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 51250658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).