3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C21H24ClN3O5S — CID 24816843

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C21H24ClN3O5S/c1-30-19-9-8-16(22)14-18(19)24-31(28,29)17-6-2-5-15(13-17)21(27)23-10-4-12-25-11-3-7-20(25)26/h2,5-6,8-9,13-14,24H,3-4,7,10-12H2,1H3,(H,23,27)
InChIKeyUYLGKUYKQVCECW-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.89
Rot. Bonds9

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 24816843) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID24816843
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C21H24ClN3O5S/c1-30-19-9-8-16(22)14-18(19)24-31(28,29)17-6-2-5-15(13-17)21(27)23-10-4-12-25-11-3-7-20(25)26/h2,5-6,8-9,13-14,24H,3-4,7,10-12H2,1H3,(H,23,27)
InChIKeyUYLGKUYKQVCECW-UHFFFAOYSA-N
XLogP2.89
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 24816843) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is UYLGKUYKQVCECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-30-19-9-8-16(22)14-18(19)24-31(28,29)17-6-2-5-15(13-17)21(27)23-10-4-12-25-11-3-7-20(25)26/h2,5-6,8-9,13-14,24H,3-4,7,10-12H2,1H3,(H,23,27).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 465.96 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 24816843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).