N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide

C21H18BrClN2O3S — CID 126035125

IUPACN-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C21H18BrClN2O3S/c1-15-13-17(9-12-20(15)22)24-21(26)14-25(18-5-3-2-4-6-18)29(27,28)19-10-7-16(23)8-11-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyQHULHUDSNXFXGK-UHFFFAOYSA-N
MW493.81 g/mol
LogP5.24
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide (PubChem CID 126035125) has the molecular formula C21H18BrClN2O3S and a molecular weight of 493.81 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
PubChem CID126035125
Molecular FormulaC21H18BrClN2O3S
Molecular Weight493.81 g/mol
Exact Mass491.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C21H18BrClN2O3S/c1-15-13-17(9-12-20(15)22)24-21(26)14-25(18-5-3-2-4-6-18)29(27,28)19-10-7-16(23)8-11-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyQHULHUDSNXFXGK-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.81
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 1337086
N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179582
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 23792056
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30169816
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide (CID 126035125) is N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide is Cc1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The InChIKey is QHULHUDSNXFXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3S/c1-15-13-17(9-12-20(15)22)24-21(26)14-25(18-5-3-2-4-6-18)29(27,28)19-10-7-16(23)8-11-19/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide has a molecular weight of 493.81 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126035125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).