1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C18H18ClN3O4S — CID 2980894

IUPAC1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-20-27(25,26)16-8-4-14(5-9-16)21-18(24)12-10-17(23)22(11-12)15-6-2-13(19)3-7-15/h2-9,12,20H,10-11H2,1H3,(H,21,24)
InChIKeyWEGUYSGPXBMTJR-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 2980894) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID2980894
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-20-27(25,26)16-8-4-14(5-9-16)21-18(24)12-10-17(23)22(11-12)15-6-2-13(19)3-7-15/h2-9,12,20H,10-11H2,1H3,(H,21,24)
InChIKeyWEGUYSGPXBMTJR-UHFFFAOYSA-N
XLogP2.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 2980894) is 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WEGUYSGPXBMTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-20-27(25,26)16-8-4-14(5-9-16)21-18(24)12-10-17(23)22(11-12)15-6-2-13(19)3-7-15/h2-9,12,20H,10-11H2,1H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2980894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).