sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene

C27H19ClNNaO2S — CID 88780829

IUPACsodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C7H7ClNO2S.Na/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-6-2-4-7(5-3-6)12(10,11)9-8;/h1-12H;2-5H,1H3;/q;-1;+1
InChIKeyBYHPAOHDWGRKEX-UHFFFAOYSA-N
MW479.96 g/mol
LogP4.95
Rot. Bonds2

About sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene

sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene (PubChem CID 88780829) has the molecular formula C27H19ClNNaO2S and a molecular weight of 479.96 g/mol. Its IUPAC name is sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene.

Molecular Properties

Compound Namesodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
PubChem CID88780829
Molecular FormulaC27H19ClNNaO2S
Molecular Weight479.96 g/mol
Exact Mass479.07
IUPAC Namesodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C7H7ClNO2S.Na/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-6-2-4-7(5-3-6)12(10,11)9-8;/h1-12H;2-5H,1H3;/q;-1;+1
InChIKeyBYHPAOHDWGRKEX-UHFFFAOYSA-N
XLogP4.95
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene?
The IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene (CID 88780829) is sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene.
What is the SMILES notation for sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene?
The canonical SMILES for sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene is Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene?
The InChIKey is BYHPAOHDWGRKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C7H7ClNO2S.Na/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-6-2-4-7(5-3-6)12(10,11)9-8;/h1-12H;2-5H,1H3;/q;-1;+1.
What are the key properties of sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene?
sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene has a molecular weight of 479.96 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene is sourced from PubChem (CID 88780829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).