zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)

C36H30Cl2N10O10S4Zn — CID 10557985

IUPACzinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)
SMILESCc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1.Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1.[Zn+2]
InChIInChI=1S/2C18H16ClN5O5S2.Zn/c2*1-12-10-11-20-17(21-12)23-30(26,27)16-8-4-14(5-9-16)22-18(25)24-31(28,29)15-6-2-13(19)3-7-15;/h2*2-11H,1H3,(H3,20,21,22,23,24,25);/q;;+2/p-2
InChIKeyNKWOITJBJZZBTR-UHFFFAOYSA-L
MW1027.26 g/mol
LogP6.68
Rot. Bonds12

About zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)

zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide) (PubChem CID 10557985) has the molecular formula C36H30Cl2N10O10S4Zn and a molecular weight of 1027.26 g/mol. Its IUPAC name is zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide).

Molecular Properties

Compound Namezinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)
PubChem CID10557985
Molecular FormulaC36H30Cl2N10O10S4Zn
Molecular Weight1027.26 g/mol
Exact Mass1023.97
IUPAC Namezinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)
SMILESCc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1.Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1.[Zn+2]
InChIInChI=1S/2C18H16ClN5O5S2.Zn/c2*1-12-10-11-20-17(21-12)23-30(26,27)16-8-4-14(5-9-16)22-18(25)24-31(28,29)15-6-2-13(19)3-7-15;/h2*2-11H,1H3,(H3,20,21,22,23,24,25);/q;;+2/p-2
InChIKeyNKWOITJBJZZBTR-UHFFFAOYSA-L
XLogP6.68
TPSA298.58 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.26
LogP ≤ 56.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide) with MolForge

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Related Compounds

silver [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 10816844
(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 3691554
[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 4755554
[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 4746240
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
[4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 2172563
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
2-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 17225176
N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
CID 69346648

Frequently Asked Questions

What is the IUPAC name of zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)?
The IUPAC name of zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide) (CID 10557985) is zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide).
What is the SMILES notation for zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)?
The canonical SMILES for zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide) is Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1.Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1.[Zn+2].
What is the InChIKey of zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)?
The InChIKey is NKWOITJBJZZBTR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H16ClN5O5S2.Zn/c2*1-12-10-11-20-17(21-12)23-30(26,27)16-8-4-14(5-9-16)22-18(25)24-31(28,29)15-6-2-13(19)3-7-15;/h2*2-11H,1H3,(H3,20,21,22,23,24,25);/q;;+2/p-2.
What are the key properties of zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)?
zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide) has a molecular weight of 1027.26 g/mol, XLogP of 6.68, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide) is sourced from PubChem (CID 10557985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).