N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide

C15H13BrClNO4S — CID 166199698

IUPACN-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H13BrClNO4S/c1-22-14-7-6-12(9-13(14)16)23(20,21)18-15(19)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyWWMDKIDYMZQTGP-UHFFFAOYSA-N
MW418.70 g/mol
LogP3.16
Rot. Bonds5

About N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide

N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide (PubChem CID 166199698) has the molecular formula C15H13BrClNO4S and a molecular weight of 418.70 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
PubChem CID166199698
Molecular FormulaC15H13BrClNO4S
Molecular Weight418.70 g/mol
Exact Mass416.94
IUPAC NameN-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H13BrClNO4S/c1-22-14-7-6-12(9-13(14)16)23(20,21)18-15(19)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyWWMDKIDYMZQTGP-UHFFFAOYSA-N
XLogP3.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)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-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
CID 166333511
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(4-chloro-3-fluorophenyl)acetamide
CID 166333513
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide
CID 166333549
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
CID 71894451
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide (CID 166199698) is N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide is COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
The InChIKey is WWMDKIDYMZQTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO4S/c1-22-14-7-6-12(9-13(14)16)23(20,21)18-15(19)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide has a molecular weight of 418.70 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 166199698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).