N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

C23H22BrClN2O5S — CID 100800533

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1Cl
InChIInChI=1S/C23H22BrClN2O5S/c1-14-10-16(24)11-15(2)23(14)26-22(28)13-32-18-5-7-19(8-6-18)33(29,30)27-17-4-9-21(31-3)20(25)12-17/h4-12,27H,13H2,1-3H3,(H,26,28)
InChIKeyUWUZZELAXMBLQP-UHFFFAOYSA-N
MW553.86 g/mol
LogP5.55
Rot. Bonds8

About N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 100800533) has the molecular formula C23H22BrClN2O5S and a molecular weight of 553.86 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID100800533
Molecular FormulaC23H22BrClN2O5S
Molecular Weight553.86 g/mol
Exact Mass552.01
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1Cl
InChIInChI=1S/C23H22BrClN2O5S/c1-14-10-16(24)11-15(2)23(14)26-22(28)13-32-18-5-7-19(8-6-18)33(29,30)27-17-4-9-21(31-3)20(25)12-17/h4-12,27H,13H2,1-3H3,(H,26,28)
InChIKeyUWUZZELAXMBLQP-UHFFFAOYSA-N
XLogP5.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.86
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873449
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 100800892
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3335187
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401976
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796609
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (CID 100800533) is N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is UWUZZELAXMBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN2O5S/c1-14-10-16(24)11-15(2)23(14)26-22(28)13-32-18-5-7-19(8-6-18)33(29,30)27-17-4-9-21(31-3)20(25)12-17/h4-12,27H,13H2,1-3H3,(H,26,28).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 553.86 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 100800533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).