2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide

C17H16ClN3O4S — CID 46549243

IUPAC2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C17H16ClN3O4S/c18-15-8-7-13(26(19,24)25)10-14(15)17(23)20-11-3-5-12(6-4-11)21-9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,20,23)(H2,19,24,25)
InChIKeyYSHMANTZSJPAFY-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide

2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide (PubChem CID 46549243) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
PubChem CID46549243
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C17H16ClN3O4S/c18-15-8-7-13(26(19,24)25)10-14(15)17(23)20-11-3-5-12(6-4-11)21-9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,20,23)(H2,19,24,25)
InChIKeyYSHMANTZSJPAFY-UHFFFAOYSA-N
XLogP2.37
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92684315
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27838215
2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 35547044
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 60540482
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide (CID 46549243) is 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide?
The InChIKey is YSHMANTZSJPAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-15-8-7-13(26(19,24)25)10-14(15)17(23)20-11-3-5-12(6-4-11)21-9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,20,23)(H2,19,24,25).
What are the key properties of 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide?
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide has a molecular weight of 393.85 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 46549243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).