4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide

C18H18ClN3O4S — CID 2877510

IUPAC4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-13-2-1-3-14(10-13)22-17(23)11-16(18(22)24)21-9-8-12-4-6-15(7-5-12)27(20,25)26/h1-7,10,16,21H,8-9,11H2,(H2,20,25,26)
InChIKeyFFUITZZYGCXRLQ-UHFFFAOYSA-N
MW407.88 g/mol
LogP1.45
Rot. Bonds6

About 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide

4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 2877510) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID2877510
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-13-2-1-3-14(10-13)22-17(23)11-16(18(22)24)21-9-8-12-4-6-15(7-5-12)27(20,25)26/h1-7,10,16,21H,8-9,11H2,(H2,20,25,26)
InChIKeyFFUITZZYGCXRLQ-UHFFFAOYSA-N
XLogP1.45
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.45
H-Bond Donors ≤ 52
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 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide (CID 2877510) is 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNC2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is FFUITZZYGCXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-13-2-1-3-14(10-13)22-17(23)11-16(18(22)24)21-9-8-12-4-6-15(7-5-12)27(20,25)26/h1-7,10,16,21H,8-9,11H2,(H2,20,25,26).
What are the key properties of 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 407.88 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2877510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).