N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

C24H24BrClN2O3S — CID 126334264

IUPACN-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(Cl)c2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24BrClN2O3S/c1-16(2)18-6-9-20(10-7-18)28(32(30,31)21-11-4-17(3)5-12-21)15-24(29)27-19-8-13-22(25)23(26)14-19/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeyZMBKYXIJWDBCKC-UHFFFAOYSA-N
MW535.89 g/mol
LogP6.37
Rot. Bonds7

About N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (PubChem CID 126334264) has the molecular formula C24H24BrClN2O3S and a molecular weight of 535.89 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
PubChem CID126334264
Molecular FormulaC24H24BrClN2O3S
Molecular Weight535.89 g/mol
Exact Mass534.04
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(Cl)c2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24BrClN2O3S/c1-16(2)18-6-9-20(10-7-18)28(32(30,31)21-11-4-17(3)5-12-21)15-24(29)27-19-8-13-22(25)23(26)14-19/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeyZMBKYXIJWDBCKC-UHFFFAOYSA-N
XLogP6.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.89
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126256629
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 51344163
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126342108
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343969
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43880133
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 43891666
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
ethyl 2-chloro-4-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 28632452

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (CID 126334264) is N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(Cl)c2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The InChIKey is ZMBKYXIJWDBCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O3S/c1-16(2)18-6-9-20(10-7-18)28(32(30,31)21-11-4-17(3)5-12-21)15-24(29)27-19-8-13-22(25)23(26)14-19/h4-14,16H,15H2,1-3H3,(H,27,29).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide has a molecular weight of 535.89 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 126334264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).