2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C22H16Cl2FN3O4S — CID 23743708

IUPAC2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=C1CC(N(Cc2cccnc2)S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16Cl2FN3O4S/c23-15-3-8-18(24)20(10-15)33(31,32)27(13-14-2-1-9-26-12-14)19-11-21(29)28(22(19)30)17-6-4-16(25)5-7-17/h1-10,12,19H,11,13H2
InChIKeyPYDZYTOLBYBGPE-UHFFFAOYSA-N
MW508.36 g/mol
LogP4.05
Rot. Bonds6

About 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 23743708) has the molecular formula C22H16Cl2FN3O4S and a molecular weight of 508.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID23743708
Molecular FormulaC22H16Cl2FN3O4S
Molecular Weight508.36 g/mol
Exact Mass507.02
IUPAC Name2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=C1CC(N(Cc2cccnc2)S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H16Cl2FN3O4S/c23-15-3-8-18(24)20(10-15)33(31,32)27(13-14-2-1-9-26-12-14)19-11-21(29)28(22(19)30)17-6-4-16(25)5-7-17/h1-10,12,19H,11,13H2
InChIKeyPYDZYTOLBYBGPE-UHFFFAOYSA-N
XLogP4.05
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23998599
2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 25037926
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dichloro-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]benzenesulfonamide
CID 23914885
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 23886714
[4-[3-[2-(3-chlorophenyl)ethyl-(2,5-dichlorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23886797
4-[3-[benzyl-(4-chlorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25038329
2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 23972511
[4-[3-[(4-acetamidophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23886806
2,5-dichloro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 23970834
[4-[3-[(2,5-dichlorophenyl)sulfonyl-prop-2-enylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23942798
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152
4-[3-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25036315

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 23743708) is 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=C1CC(N(Cc2cccnc2)S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is PYDZYTOLBYBGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O4S/c23-15-3-8-18(24)20(10-15)33(31,32)27(13-14-2-1-9-26-12-14)19-11-21(29)28(22(19)30)17-6-4-16(25)5-7-17/h1-10,12,19H,11,13H2.
What are the key properties of 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 508.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23743708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).