2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide

C21H16Cl2N4O6S2 — CID 69076568

IUPAC2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
SMILESCc1nc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)c1cc(Cl)cc(C#N)c1
InChIInChI=1S/C21H16Cl2N4O6S2/c1-12-17(3-5-21(26-12)35(25,31)32)27-20(28)11-33-18-4-2-14(22)9-19(18)34(29,30)16-7-13(10-24)6-15(23)8-16/h2-9H,11H2,1H3,(H,27,28)(H2,25,31,32)
InChIKeySJJKJYVTTHFHTQ-UHFFFAOYSA-N
MW555.42 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide

2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide (PubChem CID 69076568) has the molecular formula C21H16Cl2N4O6S2 and a molecular weight of 555.42 g/mol. Its IUPAC name is 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
PubChem CID69076568
Molecular FormulaC21H16Cl2N4O6S2
Molecular Weight555.42 g/mol
Exact Mass553.99
IUPAC Name2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
SMILESCc1nc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)c1cc(Cl)cc(C#N)c1
InChIInChI=1S/C21H16Cl2N4O6S2/c1-12-17(3-5-21(26-12)35(25,31)32)27-20(28)11-33-18-4-2-14(22)9-19(18)34(29,30)16-7-13(10-24)6-15(23)8-16/h2-9H,11H2,1H3,(H,27,28)(H2,25,31,32)
InChIKeySJJKJYVTTHFHTQ-UHFFFAOYSA-N
XLogP3.07
TPSA169.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide with MolForge

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Related Compounds

2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 69077628
N-(6-aminosulfanyl-2-methyl-3-pyridinyl)-2-[4-chloro-2-(3,5-dicyanophenoxy)phenoxy]acetamide
CID 143250344
2-[2-(3-chloro-5-isocyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 140541101
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
N-[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-2-methylpropanamide
CID 10303876
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
tert-butyl N-[1-[[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonylamino]-1-oxopropan-2-yl]carbamate
CID 23596871
2-[4-chloro-2-(1,3-thiazole-2-carbonyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23149112
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
2-[4-chloro-2-(3-chloro-5-isocyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23596816

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide (CID 69076568) is 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide is Cc1nc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)c1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
The InChIKey is SJJKJYVTTHFHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O6S2/c1-12-17(3-5-21(26-12)35(25,31)32)27-20(28)11-33-18-4-2-14(22)9-19(18)34(29,30)16-7-13(10-24)6-15(23)8-16/h2-9H,11H2,1H3,(H,27,28)(H2,25,31,32).
What are the key properties of 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide?
2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide has a molecular weight of 555.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3-chloro-5-cyanophenyl)sulfonylphenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide is sourced from PubChem (CID 69076568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).