N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C15H14ClN3O4S — CID 110623156

IUPACN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H14ClN3O4S/c16-12-4-3-11(19-6-1-7-24(19,22)23)8-13(12)18-15(21)10-2-5-14(20)17-9-10/h2-5,8-9H,1,6-7H2,(H,17,20)(H,18,21)
InChIKeyVIVBRFLNPMQMJO-UHFFFAOYSA-N
MW367.81 g/mol
LogP1.82
Rot. Bonds3

About N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110623156) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110623156
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H14ClN3O4S/c16-12-4-3-11(19-6-1-7-24(19,22)23)8-13(12)18-15(21)10-2-5-14(20)17-9-10/h2-5,8-9H,1,6-7H2,(H,17,20)(H,18,21)
InChIKeyVIVBRFLNPMQMJO-UHFFFAOYSA-N
XLogP1.82
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
CID 110623153
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-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
N-(2-chloro-4-nitrophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7498981
2,3-dichloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55815013
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-iodobenzamide
CID 55815207
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110623156) is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VIVBRFLNPMQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c16-12-4-3-11(19-6-1-7-24(19,22)23)8-13(12)18-15(21)10-2-5-14(20)17-9-10/h2-5,8-9H,1,6-7H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110623156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).