2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide

C24H24BrClN2O4S — CID 100799319

IUPAC2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cc(Br)cc1C)Cc1ccccc1
InChIInChI=1S/C24H24BrClN2O4S/c1-16-11-19(25)12-17(2)24(16)27-23(29)15-28(14-18-7-5-4-6-8-18)33(30,31)22-13-20(26)9-10-21(22)32-3/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyMEDGLORSZZJWFK-UHFFFAOYSA-N
MW551.89 g/mol
LogP5.56
Rot. Bonds8

About 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide

2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide (PubChem CID 100799319) has the molecular formula C24H24BrClN2O4S and a molecular weight of 551.89 g/mol. Its IUPAC name is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
PubChem CID100799319
Molecular FormulaC24H24BrClN2O4S
Molecular Weight551.89 g/mol
Exact Mass550.03
IUPAC Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cc(Br)cc1C)Cc1ccccc1
InChIInChI=1S/C24H24BrClN2O4S/c1-16-11-19(25)12-17(2)24(16)27-23(29)15-28(14-18-7-5-4-6-8-18)33(30,31)22-13-20(26)9-10-21(22)32-3/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyMEDGLORSZZJWFK-UHFFFAOYSA-N
XLogP5.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.89
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126393677
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872365
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546764
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide (CID 100799319) is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide is COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cc(Br)cc1C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide?
The InChIKey is MEDGLORSZZJWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O4S/c1-16-11-19(25)12-17(2)24(16)27-23(29)15-28(14-18-7-5-4-6-8-18)33(30,31)22-13-20(26)9-10-21(22)32-3/h4-13H,14-15H2,1-3H3,(H,27,29).
What are the key properties of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide?
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide has a molecular weight of 551.89 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 100799319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).