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

C24H22BrN3O4S — CID 99940050

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H22BrN3O4S/c25-19-7-9-21(10-8-19)27-33(31,32)22-13-11-20(12-14-22)26-24(30)18-5-3-17(4-6-18)16-28-15-1-2-23(28)29/h3-14,27H,1-2,15-16H2,(H,26,30)
InChIKeyRGQHNFWVTJTXPZ-UHFFFAOYSA-N
MW528.43 g/mol
LogP4.62
Rot. Bonds7

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

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 99940050) has the molecular formula C24H22BrN3O4S and a molecular weight of 528.43 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID99940050
Molecular FormulaC24H22BrN3O4S
Molecular Weight528.43 g/mol
Exact Mass527.05
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H22BrN3O4S/c25-19-7-9-21(10-8-19)27-33(31,32)22-13-11-20(12-14-22)26-24(30)18-5-3-17(4-6-18)16-28-15-1-2-23(28)29/h3-14,27H,1-2,15-16H2,(H,26,30)
InChIKeyRGQHNFWVTJTXPZ-UHFFFAOYSA-N
XLogP4.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43886552
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38004597
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
[2-(4-bromoanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 18776364
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 99940050) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is RGQHNFWVTJTXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4S/c25-19-7-9-21(10-8-19)27-33(31,32)22-13-11-20(12-14-22)26-24(30)18-5-3-17(4-6-18)16-28-15-1-2-23(28)29/h3-14,27H,1-2,15-16H2,(H,26,30).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 528.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 99940050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).