N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C25H23BrN2O4S — CID 16924886

IUPACN-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23BrN2O4S/c1-17-9-12-20(13-10-17)33(31,32)28-15-5-8-23(28)25(30)27-22-14-11-19(26)16-21(22)24(29)18-6-3-2-4-7-18/h2-4,6-7,9-14,16,23H,5,8,15H2,1H3,(H,27,30)
InChIKeyOCQATSBNDCZFSU-UHFFFAOYSA-N
MW527.44 g/mol
LogP4.78
Rot. Bonds6

About N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16924886) has the molecular formula C25H23BrN2O4S and a molecular weight of 527.44 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16924886
Molecular FormulaC25H23BrN2O4S
Molecular Weight527.44 g/mol
Exact Mass526.06
IUPAC NameN-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23BrN2O4S/c1-17-9-12-20(13-10-17)33(31,32)28-15-5-8-23(28)25(30)27-22-14-11-19(26)16-21(22)24(29)18-6-3-2-4-7-18/h2-4,6-7,9-14,16,23H,5,8,15H2,1H3,(H,27,30)
InChIKeyOCQATSBNDCZFSU-UHFFFAOYSA-N
XLogP4.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 41023465
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42935531
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42090206
N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 16924886) is N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is OCQATSBNDCZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O4S/c1-17-9-12-20(13-10-17)33(31,32)28-15-5-8-23(28)25(30)27-22-14-11-19(26)16-21(22)24(29)18-6-3-2-4-7-18/h2-4,6-7,9-14,16,23H,5,8,15H2,1H3,(H,27,30).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 527.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16924886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).