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

C24H22ClN3O4S — CID 16603036

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-27(19-6-3-2-4-7-19)33(31,32)20-12-9-17(10-13-20)24(30)26-18-11-14-22(21(25)16-18)28-15-5-8-23(28)29/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,26,30)
InChIKeySKNGBIDVBHMRSB-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.54
Rot. Bonds6

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

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 16603036) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID16603036
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-27(19-6-3-2-4-7-19)33(31,32)20-12-9-17(10-13-20)24(30)26-18-11-14-22(21(25)16-18)28-15-5-8-23(28)29/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,26,30)
InChIKeySKNGBIDVBHMRSB-UHFFFAOYSA-N
XLogP4.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 46699695
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30601405
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
1-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24602844
5-(benzylsulfamoyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 46528607
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46692737
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 16564284
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 16603036) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is SKNGBIDVBHMRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-27(19-6-3-2-4-7-19)33(31,32)20-12-9-17(10-13-20)24(30)26-18-11-14-22(21(25)16-18)28-15-5-8-23(28)29/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,26,30).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 483.98 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 16603036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).