5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide

C25H24BrCl2NO7S2 — CID 157490354

IUPAC5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide
SMILESCOc1ccc(COc2ccc(Oc3c(Cl)cc(Br)cc3Cl)cc2S(=O)(=O)NC2(CS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C25H24BrCl2NO7S2/c1-34-18-5-3-16(4-6-18)14-35-22-8-7-19(36-24-20(27)11-17(26)12-21(24)28)13-23(22)38(32,33)29-25(9-10-25)15-37(2,30)31/h3-8,11-13,29H,9-10,14-15H2,1-2H3
InChIKeyTYWPJICZVAMXIZ-UHFFFAOYSA-N
MW665.41 g/mol
LogP5.99
Rot. Bonds11

About 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide

5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide (PubChem CID 157490354) has the molecular formula C25H24BrCl2NO7S2 and a molecular weight of 665.41 g/mol. Its IUPAC name is 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide
PubChem CID157490354
Molecular FormulaC25H24BrCl2NO7S2
Molecular Weight665.41 g/mol
Exact Mass662.96
IUPAC Name5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide
SMILESCOc1ccc(COc2ccc(Oc3c(Cl)cc(Br)cc3Cl)cc2S(=O)(=O)NC2(CS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C25H24BrCl2NO7S2/c1-34-18-5-3-16(4-6-18)14-35-22-8-7-19(36-24-20(27)11-17(26)12-21(24)28)13-23(22)38(32,33)29-25(9-10-25)15-37(2,30)31/h3-8,11-13,29H,9-10,14-15H2,1-2H3
InChIKeyTYWPJICZVAMXIZ-UHFFFAOYSA-N
XLogP5.99
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.41
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3S)-1-[5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 162457618
5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane
CID 158132986
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
5-bromo-1,3-dichloro-2-(4-methoxy-3-methylsulfonylphenoxy)benzene;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxybenzenesulfonyl chloride
CID 162198444
2-[3,5-dichloro-4-[3-(3-hydroxyazetidin-1-yl)sulfonyl-4-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]-6-(difluoromethyl)pyridazine-3,5-dione
CID 159283482
[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol
CID 142526629
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
CID 115902986
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
CID 162457633
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-(6-methylspiro[3.3]heptan-2-yl)benzenesulfonamide
CID 161337015

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide (CID 157490354) is 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide is COc1ccc(COc2ccc(Oc3c(Cl)cc(Br)cc3Cl)cc2S(=O)(=O)NC2(CS(C)(=O)=O)CC2)cc1.
What is the InChIKey of 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is TYWPJICZVAMXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrCl2NO7S2/c1-34-18-5-3-16(4-6-18)14-35-22-8-7-19(36-24-20(27)11-17(26)12-21(24)28)13-23(22)38(32,33)29-25(9-10-25)15-37(2,30)31/h3-8,11-13,29H,9-10,14-15H2,1-2H3.
What are the key properties of 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide?
5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 665.41 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 157490354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).