4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide

C18H18ClN3O4S — CID 42889160

IUPAC4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-13-5-8-15(16(10-13)22-9-1-2-17(22)23)18(24)21-11-12-3-6-14(7-4-12)27(20,25)26/h3-8,10H,1-2,9,11H2,(H,21,24)(H2,20,25,26)
InChIKeyWQGVBAKHZVQOGF-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.04
Rot. Bonds5

About 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 42889160) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID42889160
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-13-5-8-15(16(10-13)22-9-1-2-17(22)23)18(24)21-11-12-3-6-14(7-4-12)27(20,25)26/h3-8,10H,1-2,9,11H2,(H,21,24)(H2,20,25,26)
InChIKeyWQGVBAKHZVQOGF-UHFFFAOYSA-N
XLogP2.04
TPSA109.57 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
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4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
2-(2-oxopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
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4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
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N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9086885
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 42889160) is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1.
What is the InChIKey of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is WQGVBAKHZVQOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-13-5-8-15(16(10-13)22-9-1-2-17(22)23)18(24)21-11-12-3-6-14(7-4-12)27(20,25)26/h3-8,10H,1-2,9,11H2,(H,21,24)(H2,20,25,26).
What are the key properties of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 407.88 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 42889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).