N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H20ClN3O4S — CID 4570058

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H20ClN3O4S/c24-20-7-1-2-8-21(20)26-32(30,31)19-6-3-5-17(15-19)25-23(29)16-10-12-18(13-11-16)27-14-4-9-22(27)28/h1-3,5-8,10-13,15,26H,4,9,14H2,(H,25,29)
InChIKeyAPPAJEXNRODJJO-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.52
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 4570058) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID4570058
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H20ClN3O4S/c24-20-7-1-2-8-21(20)26-32(30,31)19-6-3-5-17(15-19)25-23(29)16-10-12-18(13-11-16)27-14-4-9-22(27)28/h1-3,5-8,10-13,15,26H,4,9,14H2,(H,25,29)
InChIKeyAPPAJEXNRODJJO-UHFFFAOYSA-N
XLogP4.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 4570058) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is APPAJEXNRODJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c24-20-7-1-2-8-21(20)26-32(30,31)19-6-3-5-17(15-19)25-23(29)16-10-12-18(13-11-16)27-14-4-9-22(27)28/h1-3,5-8,10-13,15,26H,4,9,14H2,(H,25,29).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 469.95 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4570058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).