2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide

C22H16ClF3N4O6S — CID 69077628

IUPAC2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
SMILESCc1nc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(OC(F)(F)F)cc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H16ClF3N4O6S/c1-12-17(3-5-21(29-12)37(28,32)33)30-20(31)11-34-18-4-2-15(36-22(24,25)26)9-19(18)35-16-7-13(10-27)6-14(23)8-16/h2-9H,11H2,1H3,(H,30,31)(H2,28,32,33)
InChIKeyQKEOHJMZEGVADT-UHFFFAOYSA-N
MW556.91 g/mol
LogP4.27
Rot. Bonds8

About 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide

2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide (PubChem CID 69077628) has the molecular formula C22H16ClF3N4O6S and a molecular weight of 556.91 g/mol. Its IUPAC name is 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
PubChem CID69077628
Molecular FormulaC22H16ClF3N4O6S
Molecular Weight556.91 g/mol
Exact Mass556.04
IUPAC Name2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
SMILESCc1nc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(OC(F)(F)F)cc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H16ClF3N4O6S/c1-12-17(3-5-21(29-12)37(28,32)33)30-20(31)11-34-18-4-2-15(36-22(24,25)26)9-19(18)35-16-7-13(10-27)6-14(23)8-16/h2-9H,11H2,1H3,(H,30,31)(H2,28,32,33)
InChIKeyQKEOHJMZEGVADT-UHFFFAOYSA-N
XLogP4.27
TPSA153.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.91
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(3-chloro-5-isocyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 140541101
2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 69076568
N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide
CID 143250344
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
CID 58856179
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 24968175
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 143402513
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
2-[4-[2-[4-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]acetyl]phenoxy]acetic acid
CID 134816230
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide (CID 69077628) is 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide is Cc1nc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(OC(F)(F)F)cc1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
The InChIKey is QKEOHJMZEGVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O6S/c1-12-17(3-5-21(29-12)37(28,32)33)30-20(31)11-34-18-4-2-15(36-22(24,25)26)9-19(18)35-16-7-13(10-27)6-14(23)8-16/h2-9H,11H2,1H3,(H,30,31)(H2,28,32,33).
What are the key properties of 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide has a molecular weight of 556.91 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide is sourced from PubChem (CID 69077628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).