2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate

C30H28ClCoN6O10S — CID 139207043

IUPAC2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate
SMILESCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(=O)[O-])cc1.O.[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H11N2O5S.2C10H8N2.ClHO4.Co.H2O/c1-7(13)12-8-2-4-9(5-3-8)18(16,17)11-6-10(14)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;/h2-5H,6H2,1H3,(H,12,13)(H,14,15);2*1-8H;(H,2,3,4,5);;1H2/q-1;;;;+3;/p-2
InChIKeyIADKTGLSRBOAGN-UHFFFAOYSA-L
MW759.04 g/mol
LogP-1.84
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate

2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate (PubChem CID 139207043) has the molecular formula C30H28ClCoN6O10S and a molecular weight of 759.04 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate
PubChem CID139207043
Molecular FormulaC30H28ClCoN6O10S
Molecular Weight759.04 g/mol
Exact Mass758.06
IUPAC Name2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate
SMILESCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(=O)[O-])cc1.O.[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H11N2O5S.2C10H8N2.ClHO4.Co.H2O/c1-7(13)12-8-2-4-9(5-3-8)18(16,17)11-6-10(14)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;/h2-5H,6H2,1H3,(H,12,13)(H,14,15);2*1-8H;(H,2,3,4,5);;1H2/q-1;;;;+3;/p-2
InChIKeyIADKTGLSRBOAGN-UHFFFAOYSA-L
XLogP-1.84
TPSA292.77 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.04
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
N-[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 90588452
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
4-acetamidobenzenesulfonic acid chloride
CID 53446633
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 3691554
methanesulfonic acid;N-(4-pyridin-2-yl-3-sulfamoylphenyl)acetamide;hydrate
CID 161208597
cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
CID 175778611
[4-[[2-(2,3,4,5,6-pentachlorophenoxy)acetyl]amino]phenyl]sulfonyl-pyridin-2-ylazanide
CID 4052450
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
perchloric acid;2-pyridin-2-ylpyridine
CID 71352928

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate?
The IUPAC name of 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate (CID 139207043) is 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate?
The canonical SMILES for 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate is CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(=O)[O-])cc1.O.[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate?
The InChIKey is IADKTGLSRBOAGN-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H11N2O5S.2C10H8N2.ClHO4.Co.H2O/c1-7(13)12-8-2-4-9(5-3-8)18(16,17)11-6-10(14)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;/h2-5H,6H2,1H3,(H,12,13)(H,14,15);2*1-8H;(H,2,3,4,5);;1H2/q-1;;;;+3;/p-2.
What are the key properties of 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate?
2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate has a molecular weight of 759.04 g/mol, XLogP of -1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfonylazanidylacetate;cobalt(3+);bis(2-pyridin-2-ylpyridine);perchlorate;hydrate is sourced from PubChem (CID 139207043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).