1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide

C19H21BrN2O3S — CID 24617132

IUPAC1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-2-14-5-9-16(10-6-14)21-19(23)18-4-3-13-22(18)26(24,25)17-11-7-15(20)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,21,23)
InChIKeyODOHYLKLEDLXCB-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 24617132) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
PubChem CID24617132
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-2-14-5-9-16(10-6-14)21-19(23)18-4-3-13-22(18)26(24,25)17-11-7-15(20)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,21,23)
InChIKeyODOHYLKLEDLXCB-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
CID 92887782
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24619763
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
ethyl 4-[(2S)-2-[(4-ethylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 93052673
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 42935536

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide (CID 24617132) is 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide is CCc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ODOHYLKLEDLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-2-14-5-9-16(10-6-14)21-19(23)18-4-3-13-22(18)26(24,25)17-11-7-15(20)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,21,23).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24617132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).