N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C22H19BrCl2N2O3S — CID 126016058

IUPACN-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C22H19BrCl2N2O3S/c23-17-6-9-19(10-7-17)26-22(28)15-27(13-12-16-4-2-1-3-5-16)31(29,30)21-14-18(24)8-11-20(21)25/h1-11,14H,12-13,15H2,(H,26,28)
InChIKeyAFKQUDBFVPRZFY-UHFFFAOYSA-N
MW542.28 g/mol
LogP5.63
Rot. Bonds8

About N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 126016058) has the molecular formula C22H19BrCl2N2O3S and a molecular weight of 542.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID126016058
Molecular FormulaC22H19BrCl2N2O3S
Molecular Weight542.28 g/mol
Exact Mass539.97
IUPAC NameN-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C22H19BrCl2N2O3S/c23-17-6-9-19(10-7-17)26-22(28)15-27(13-12-16-4-2-1-3-5-16)31(29,30)21-14-18(24)8-11-20(21)25/h1-11,14H,12-13,15H2,(H,26,28)
InChIKeyAFKQUDBFVPRZFY-UHFFFAOYSA-N
XLogP5.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.28
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126020917
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126015329
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28545720
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1331141
N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371979
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4969009
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967163

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 126016058) is N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is AFKQUDBFVPRZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrCl2N2O3S/c23-17-6-9-19(10-7-17)26-22(28)15-27(13-12-16-4-2-1-3-5-16)31(29,30)21-14-18(24)8-11-20(21)25/h1-11,14H,12-13,15H2,(H,26,28).
What are the key properties of N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 542.28 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 126016058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).