2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide

C21H17BrCl2N2O3S — CID 43891666

IUPAC2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-2-8-20(9-3-14)30(28,29)26(19-6-4-15(22)5-7-19)13-21(27)25-18-11-16(23)10-17(24)12-18/h2-12H,13H2,1H3,(H,25,27)
InChIKeyXJZIZJZSYCWHOF-UHFFFAOYSA-N
MW528.26 g/mol
LogP5.90
Rot. Bonds6

About 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide

2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 43891666) has the molecular formula C21H17BrCl2N2O3S and a molecular weight of 528.26 g/mol. Its IUPAC name is 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
PubChem CID43891666
Molecular FormulaC21H17BrCl2N2O3S
Molecular Weight528.26 g/mol
Exact Mass525.95
IUPAC Name2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-2-8-20(9-3-14)30(28,29)26(19-6-4-15(22)5-7-19)13-21(27)25-18-11-16(23)10-17(24)12-18/h2-12H,13H2,1H3,(H,25,27)
InChIKeyXJZIZJZSYCWHOF-UHFFFAOYSA-N
XLogP5.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.26
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881444
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881752
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 51344163
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880995
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881021
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 30170990
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide (CID 43891666) is 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is XJZIZJZSYCWHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O3S/c1-14-2-8-20(9-3-14)30(28,29)26(19-6-4-15(22)5-7-19)13-21(27)25-18-11-16(23)10-17(24)12-18/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide?
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 528.26 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 43891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).