N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

C17H16Cl2FN3O3S — CID 46343842

IUPACN-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(Cl)c2)S1(=O)=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H16Cl2FN3O3S/c18-13-3-1-2-12(8-13)10-22-6-7-23(27(22,25)26)11-17(24)21-16-5-4-14(19)9-15(16)20/h1-5,8-9H,6-7,10-11H2,(H,21,24)
InChIKeyDZNMNVYRXYKSPY-UHFFFAOYSA-N
MW432.30 g/mol
LogP3.13
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (PubChem CID 46343842) has the molecular formula C17H16Cl2FN3O3S and a molecular weight of 432.30 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
PubChem CID46343842
Molecular FormulaC17H16Cl2FN3O3S
Molecular Weight432.30 g/mol
Exact Mass431.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(Cl)c2)S1(=O)=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H16Cl2FN3O3S/c18-13-3-1-2-12(8-13)10-22-6-7-23(27(22,25)26)11-17(24)21-16-5-4-14(19)9-15(16)20/h1-5,8-9H,6-7,10-11H2,(H,21,24)
InChIKeyDZNMNVYRXYKSPY-UHFFFAOYSA-N
XLogP3.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 20921409
N-(4-chloro-2-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258674
N-(2,4-difluorophenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952637
2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(3-chlorophenyl)acetamide
CID 46343883
N-(4-chlorophenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030292
N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46341936
2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 46279768
N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030297
N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20921499
N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20953900
2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92708826
2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20952508

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (CID 46343842) is N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is O=C(CN1CCN(Cc2cccc(Cl)c2)S1(=O)=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The InChIKey is DZNMNVYRXYKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O3S/c18-13-3-1-2-12(8-13)10-22-6-7-23(27(22,25)26)11-17(24)21-16-5-4-14(19)9-15(16)20/h1-5,8-9H,6-7,10-11H2,(H,21,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide has a molecular weight of 432.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[5-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is sourced from PubChem (CID 46343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).