2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C19H21BrN2O4S — CID 26795556

IUPAC2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H21BrN2O4S/c1-2-26-17-10-9-14(21-19(23)15-7-3-4-8-16(15)20)13-18(17)27(24,25)22-11-5-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeySBJHKAGHRLNJNC-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 26795556) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID26795556
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H21BrN2O4S/c1-2-26-17-10-9-14(21-19(23)15-7-3-4-8-16(15)20)13-18(17)27(24,25)22-11-5-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeySBJHKAGHRLNJNC-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34405095
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 26795556) is 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCOc1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is SBJHKAGHRLNJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-2-26-17-10-9-14(21-19(23)15-7-3-4-8-16(15)20)13-18(17)27(24,25)22-11-5-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 453.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26795556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).