4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C18H15ClN4O4S — CID 46307079

IUPAC4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc2Cl)C1=O
InChIInChI=1S/C18H15ClN4O4S/c1-10-9-28(26,27)23(18(10)25)16-6-11(3-5-14(16)19)17(24)21-13-4-2-12-8-20-22-15(12)7-13/h2-8,10H,9H2,1H3,(H,20,22)(H,21,24)
InChIKeyNGNJIKUOXGOUTB-UHFFFAOYSA-N
MW418.86 g/mol
LogP2.78
Rot. Bonds3

About 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 46307079) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID46307079
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc2Cl)C1=O
InChIInChI=1S/C18H15ClN4O4S/c1-10-9-28(26,27)23(18(10)25)16-6-11(3-5-14(16)19)17(24)21-13-4-2-12-8-20-22-15(12)7-13/h2-8,10H,9H2,1H3,(H,20,22)(H,21,24)
InChIKeyNGNJIKUOXGOUTB-UHFFFAOYSA-N
XLogP2.78
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307015
N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307062
N-(3-bromo-4-methylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307044
4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307090
4-chloro-N-(2-methoxyphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307045
4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46307056
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(3,5-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60714993
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 46306967

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 46307079) is 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1CS(=O)(=O)N(c2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc2Cl)C1=O.
What is the InChIKey of 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is NGNJIKUOXGOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c1-10-9-28(26,27)23(18(10)25)16-6-11(3-5-14(16)19)17(24)21-13-4-2-12-8-20-22-15(12)7-13/h2-8,10H,9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 418.86 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 46307079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).