2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H20BrN3O3S — CID 4806474

IUPAC2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20BrN3O3S/c19-14-3-5-15(6-4-14)20-13-18(23)21-16-7-9-17(10-8-16)26(24,25)22-11-1-2-12-22/h3-10,20H,1-2,11-13H2,(H,21,23)
InChIKeyOLUPKZCCZYIIRJ-UHFFFAOYSA-N
MW438.35 g/mol
LogP3.28
Rot. Bonds6

About 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4806474) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4806474
Molecular FormulaC18H20BrN3O3S
Molecular Weight438.35 g/mol
Exact Mass437.04
IUPAC Name2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20BrN3O3S/c19-14-3-5-15(6-4-14)20-13-18(23)21-16-7-9-17(10-8-16)26(24,25)22-11-1-2-12-22/h3-10,20H,1-2,11-13H2,(H,21,23)
InChIKeyOLUPKZCCZYIIRJ-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 20109205
1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155529158
1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155555383
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3236097
N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 3317983
N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidinosulfonylanilino)acetamide
CID 24818244
N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931306
N-(4-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931424
N-(4-(((4-Bromophenyl)amino)sulfonyl)phenyl)acetamide
CID 984584
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4806474) is 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CNc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is OLUPKZCCZYIIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c19-14-3-5-15(6-4-14)20-13-18(23)21-16-7-9-17(10-8-16)26(24,25)22-11-1-2-12-22/h3-10,20H,1-2,11-13H2,(H,21,23).
What are the key properties of 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 438.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4806474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).