N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide

C25H25BrCl2N2O4S — CID 166353736

IUPACN-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCN(Cc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H25BrCl2N2O4S/c1-25(2,3)24(31)29-18-7-10-20(11-8-18)35(32,33)30(4)15-16-5-6-17(26)13-23(16)34-19-9-12-21(27)22(28)14-19/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyGLLOPRITVJESEZ-UHFFFAOYSA-N
MW600.36 g/mol
LogP7.35
Rot. Bonds7

About N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide

N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 166353736) has the molecular formula C25H25BrCl2N2O4S and a molecular weight of 600.36 g/mol. Its IUPAC name is N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide
PubChem CID166353736
Molecular FormulaC25H25BrCl2N2O4S
Molecular Weight600.36 g/mol
Exact Mass598.01
IUPAC NameN-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCN(Cc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H25BrCl2N2O4S/c1-25(2,3)24(31)29-18-7-10-20(11-8-18)35(32,33)30(4)15-16-5-6-17(26)13-23(16)34-19-9-12-21(27)22(28)14-19/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyGLLOPRITVJESEZ-UHFFFAOYSA-N
XLogP7.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.36
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 32941920
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
1-[[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]-3-[1-(3,4-dimethylphenyl)sulfonylbutan-2-yl]-1-methylurea
CID 167743221
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 126213007
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
[2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-4-acetyloxy-5-methoxyphenyl] acetate
CID 91691887
N'-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl]-N'-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]oxamide
CID 167930751
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
4-bromo-1-(bromomethyl)-2-(4-methylsulfonylphenoxy)benzene
CID 107087837

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide (CID 166353736) is N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide is CN(Cc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GLLOPRITVJESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrCl2N2O4S/c1-25(2,3)24(31)29-18-7-10-20(11-8-18)35(32,33)30(4)15-16-5-6-17(26)13-23(16)34-19-9-12-21(27)22(28)14-19/h5-14H,15H2,1-4H3,(H,29,31).
What are the key properties of N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 600.36 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methyl-methylsulfamoyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 166353736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).