4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C20H23BrN2O3S — CID 55898009

IUPAC4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-14(2)22-27(25,26)18-11-7-16(8-12-18)20(24)23-13-3-4-19(23)15-5-9-17(21)10-6-15/h5-12,14,19,22H,3-4,13H2,1-2H3
InChIKeyGKIWWOFEBYFHNZ-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.11
Rot. Bonds5

About 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 55898009) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID55898009
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-14(2)22-27(25,26)18-11-7-16(8-12-18)20(24)23-13-3-4-19(23)15-5-9-17(21)10-6-15/h5-12,14,19,22H,3-4,13H2,1-2H3
InChIKeyGKIWWOFEBYFHNZ-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046
N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52504192
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 55898009) is 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC2c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GKIWWOFEBYFHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-14(2)22-27(25,26)18-11-7-16(8-12-18)20(24)23-13-3-4-19(23)15-5-9-17(21)10-6-15/h5-12,14,19,22H,3-4,13H2,1-2H3.
What are the key properties of 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 451.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55898009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).