(Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide

C20H26CoN9O7SSe-2 — CID 135959348

IUPAC—
SMILESCC(=N/[O-])/C(C)=N/O.CC(=N/[O-])/C(C)=N/O.COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1.N#C[Se].[Co]
InChIInChI=1S/C11H12N4O3S.2C4H8N2O2.CNSe.Co/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2*1-3(5-7)4(2)6-8;2-1-3;/h2-7H,12H2,1H3,(H,13,14,15);2*7-8H,1-2H3;;/p-2/b;2*5-3-,6-4+;;
InChIKeyLOICZFJGJMWTLI-XTTHBESRSA-L
MW674.44 g/mol
LogP2.09
Rot. Bonds6

About (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide

(Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide (PubChem CID 135959348) has the molecular formula C20H26CoN9O7SSe-2 and a molecular weight of 674.44 g/mol.

Molecular Properties

Compound Name(Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide
PubChem CID135959348
Molecular FormulaC20H26CoN9O7SSe-2
Molecular Weight674.44 g/mol
Exact Mass675.02
IUPAC Name—
SMILESCC(=N/[O-])/C(C)=N/O.CC(=N/[O-])/C(C)=N/O.COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1.N#C[Se].[Co]
InChIInChI=1S/C11H12N4O3S.2C4H8N2O2.CNSe.Co/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2*1-3(5-7)4(2)6-8;2-1-3;/h2-7H,12H2,1H3,(H,13,14,15);2*7-8H,1-2H3;;/p-2/b;2*5-3-,6-4+;;
InChIKeyLOICZFJGJMWTLI-XTTHBESRSA-L
XLogP2.09
TPSA267.01 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.44
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide with MolForge

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Related Compounds

4-aminobenzenesulfonamide;4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 174885435
4-amino-N-(6-chloropyrimidin-4-yl)benzenesulfonamide
CID 20781945
4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 3082510
4-iodo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 1017818
ethyl (E)-4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 54783018
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847
3,4,5-trihydroxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 90479890
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 171977564
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 54783055
2-(2,5-dimethylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 54782870
1-(3-chlorophenyl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 54782827

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide?
The IUPAC name of (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide (CID 135959348) is not available.
What is the SMILES notation for (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide?
The canonical SMILES for (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide is CC(=N/[O-])/C(C)=N/O.CC(=N/[O-])/C(C)=N/O.COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1.N#C[Se].[Co].
What is the InChIKey of (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide?
The InChIKey is LOICZFJGJMWTLI-XTTHBESRSA-L. The full InChI is InChI=1S/C11H12N4O3S.2C4H8N2O2.CNSe.Co/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2*1-3(5-7)4(2)6-8;2-1-3;/h2-7H,12H2,1H3,(H,13,14,15);2*7-8H,1-2H3;;/p-2/b;2*5-3-,6-4+;;.
What are the key properties of (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide?
(Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide has a molecular weight of 674.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N-[(cyanoselanyl)[(Z,Z)-[(3E)-3-(N-hydroxyimino)butan-2-ylidene]-oxo-$l^{5}-azanylidene]cobaltio]-3-(N-hydroxyimino)but-2-imine oxide; 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide is sourced from PubChem (CID 135959348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).