2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide

C23H15Cl3N2O3S — CID 23100634

IUPAC2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(SC2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H15Cl3N2O3S/c24-13-1-6-16(7-2-13)28-21(29)12-20(23(28)31)32-17-8-4-15(5-9-17)27-22(30)18-10-3-14(25)11-19(18)26/h1-11,20H,12H2,(H,27,30)
InChIKeyHJQMKDMIAFUWOU-UHFFFAOYSA-N
MW505.81 g/mol
LogP6.32
Rot. Bonds5

About 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide

2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide (PubChem CID 23100634) has the molecular formula C23H15Cl3N2O3S and a molecular weight of 505.81 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide
PubChem CID23100634
Molecular FormulaC23H15Cl3N2O3S
Molecular Weight505.81 g/mol
Exact Mass503.99
IUPAC Name2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(SC2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H15Cl3N2O3S/c24-13-1-6-16(7-2-13)28-21(29)12-20(23(28)31)32-17-8-4-15(5-9-17)27-22(30)18-10-3-14(25)11-19(18)26/h1-11,20H,12H2,(H,27,30)
InChIKeyHJQMKDMIAFUWOU-UHFFFAOYSA-N
XLogP6.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.81
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide (CID 23100634) is 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide is O=C(Nc1ccc(SC2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide?
The InChIKey is HJQMKDMIAFUWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O3S/c24-13-1-6-16(7-2-13)28-21(29)12-20(23(28)31)32-17-8-4-15(5-9-17)27-22(30)18-10-3-14(25)11-19(18)26/h1-11,20H,12H2,(H,27,30).
What are the key properties of 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide has a molecular weight of 505.81 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 23100634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).