2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

C21H20BrN3O3S — CID 2345972

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H20BrN3O3S/c1-2-25(15-16-11-13-23-14-12-16)21(26)19-5-3-4-6-20(19)24-29(27,28)18-9-7-17(22)8-10-18/h3-14,24H,2,15H2,1H3
InChIKeyROYIPJRWVNZVBB-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.31
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 2345972) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID2345972
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H20BrN3O3S/c1-2-25(15-16-11-13-23-14-12-16)21(26)19-5-3-4-6-20(19)24-29(27,28)18-9-7-17(22)8-10-18/h3-14,24H,2,15H2,1H3
InChIKeyROYIPJRWVNZVBB-UHFFFAOYSA-N
XLogP4.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)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

2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
Tubulin inhibitor 11
CID 139369407
4-[(4-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 3906928
N-[3-(azepan-1-ylsulfonyl)phenyl]-5-bromopyridine-3-carboxamide
CID 4587660
4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 992049
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
4-Methyl-3-((4-methylphenyl)sulfonamido)-N-(pyridin-3-ylmethyl)benzamide
CID 17618132
3-[(4-ethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139369408
4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 153331980
5-bromo-N-(4-(N-ethylsulfamoyl)phenyl)nicotinamide
CID 993374
N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)pyridine-3-carboxamide
CID 1124626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (CID 2345972) is 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ROYIPJRWVNZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-2-25(15-16-11-13-23-14-12-16)21(26)19-5-3-4-6-20(19)24-29(27,28)18-9-7-17(22)8-10-18/h3-14,24H,2,15H2,1H3.
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 474.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 2345972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).