2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide

C21H17BrCl2N2O3S — CID 51344789

IUPAC2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1Br
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-11-16(8-9-18(14)22)25-21(27)13-26(20-10-7-15(23)12-19(20)24)30(28,29)17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,25,27)
InChIKeyWLRUPJCAVGWMNM-UHFFFAOYSA-N
MW528.26 g/mol
LogP5.90
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 51344789) has the molecular formula C21H17BrCl2N2O3S and a molecular weight of 528.26 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID51344789
Molecular FormulaC21H17BrCl2N2O3S
Molecular Weight528.26 g/mol
Exact Mass525.95
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1Br
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-11-16(8-9-18(14)22)25-21(27)13-26(20-10-7-15(23)12-19(20)24)30(28,29)17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,25,27)
InChIKeyWLRUPJCAVGWMNM-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-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035125
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 126279267
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
N-(4-bromo-3-methylphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2280606
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 1337086
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 2209343
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880667
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide (CID 51344789) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide is Cc1cc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)ccc1Br.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is WLRUPJCAVGWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O3S/c1-14-11-16(8-9-18(14)22)25-21(27)13-26(20-10-7-15(23)12-19(20)24)30(28,29)17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)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-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 51344789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).