bis(4-methylsulfonylphenyl)diazene

C14H14N2O4S2 — CID 14045605

IUPACbis(4-methylsulfonylphenyl)diazene
SMILESCS(=O)(=O)c1ccc(/N=N/c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14N2O4S2/c1-21(17,18)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3/b16-15+
InChIKeyYAOANVUCJFGUDF-FOCLMDBBSA-N
MW338.41 g/mol
LogP2.91
Rot. Bonds4

About bis(4-methylsulfonylphenyl)diazene

bis(4-methylsulfonylphenyl)diazene (PubChem CID 14045605) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is bis(4-methylsulfonylphenyl)diazene.

Molecular Properties

Compound Namebis(4-methylsulfonylphenyl)diazene
PubChem CID14045605
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Namebis(4-methylsulfonylphenyl)diazene
SMILESCS(=O)(=O)c1ccc(/N=N/c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14N2O4S2/c1-21(17,18)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3/b16-15+
InChIKeyYAOANVUCJFGUDF-FOCLMDBBSA-N
XLogP2.91
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate
CID 4263355
(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91363696
2,6-ditert-butyl-4-methyl-4-[(4-methylsulfonylphenyl)diazenyl]cyclohexa-2,5-dien-1-one
CID 71131676
dipotassium;4-methylsulfonylphenol;carbonate
CID 139243111
4-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenol
CID 135852852
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
1-ethyl-4-methylsulfonylbenzene
CID 143759723
CID 89000842
CID 89000842
4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
N-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
2-[[4-[[hydroxy(oxido)amino]methyl]phenyl]diazenyl]-4-methylsulfonylphenol
CID 163585792

Frequently Asked Questions

What is the IUPAC name of bis(4-methylsulfonylphenyl)diazene?
The IUPAC name of bis(4-methylsulfonylphenyl)diazene (CID 14045605) is bis(4-methylsulfonylphenyl)diazene.
What is the SMILES notation for bis(4-methylsulfonylphenyl)diazene?
The canonical SMILES for bis(4-methylsulfonylphenyl)diazene is CS(=O)(=O)c1ccc(/N=N/c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of bis(4-methylsulfonylphenyl)diazene?
The InChIKey is YAOANVUCJFGUDF-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-21(17,18)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3/b16-15+.
What are the key properties of bis(4-methylsulfonylphenyl)diazene?
bis(4-methylsulfonylphenyl)diazene has a molecular weight of 338.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylsulfonylphenyl)diazene is sourced from PubChem (CID 14045605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).