N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

C16H15BrCl2N2O3S — CID 45371979

IUPACN-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15BrCl2N2O3S/c1-2-21(10-16(22)20-13-5-3-4-11(17)8-13)25(23,24)15-9-12(18)6-7-14(15)19/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyZAEMHFNEMGDSOS-UHFFFAOYSA-N
MW466.18 g/mol
LogP4.41
Rot. Bonds6

About N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 45371979) has the molecular formula C16H15BrCl2N2O3S and a molecular weight of 466.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID45371979
Molecular FormulaC16H15BrCl2N2O3S
Molecular Weight466.18 g/mol
Exact Mass463.94
IUPAC NameN-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15BrCl2N2O3S/c1-2-21(10-16(22)20-13-5-3-4-11(17)8-13)25(23,24)15-9-12(18)6-7-14(15)19/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyZAEMHFNEMGDSOS-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide 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-[(1S)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547797
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547799
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126079248
methyl 2-[[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45371987
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016058
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (CID 45371979) is N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is ZAEMHFNEMGDSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O3S/c1-2-21(10-16(22)20-13-5-3-4-11(17)8-13)25(23,24)15-9-12(18)6-7-14(15)19/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 466.18 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 45371979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).