2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide

C18H17ClFN3O4S — CID 4284193

IUPAC2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(NC2CC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl
InChIInChI=1S/C18H17ClFN3O4S/c1-22(2)28(26,27)16-9-12(5-8-14(16)19)21-15-10-17(24)23(18(15)25)13-6-3-11(20)4-7-13/h3-9,15,21H,10H2,1-2H3
InChIKeyZIGGQMZOXKWPJJ-UHFFFAOYSA-N
MW425.87 g/mol
LogP2.47
Rot. Bonds5

About 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide

2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 4284193) has the molecular formula C18H17ClFN3O4S and a molecular weight of 425.87 g/mol. Its IUPAC name is 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID4284193
Molecular FormulaC18H17ClFN3O4S
Molecular Weight425.87 g/mol
Exact Mass425.06
IUPAC Name2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(NC2CC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl
InChIInChI=1S/C18H17ClFN3O4S/c1-22(2)28(26,27)16-9-12(5-8-14(16)19)21-15-10-17(24)23(18(15)25)13-6-3-11(20)4-7-13/h3-9,15,21H,10H2,1-2H3
InChIKeyZIGGQMZOXKWPJJ-UHFFFAOYSA-N
XLogP2.47
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide (CID 4284193) is 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(NC2CC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZIGGQMZOXKWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O4S/c1-22(2)28(26,27)16-9-12(5-8-14(16)19)21-15-10-17(24)23(18(15)25)13-6-3-11(20)4-7-13/h3-9,15,21H,10H2,1-2H3.
What are the key properties of 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 425.87 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4284193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).