4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol

C19H15N5O5S — CID 141193213

IUPAC4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
SMILESCS(=O)(=O)c1ccc(O)c(/N=N/c2ccccc2/N=N/c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H15N5O5S/c1-30(28,29)13-10-11-19(25)17(12-13)23-21-15-7-3-2-6-14(15)20-22-16-8-4-5-9-18(16)24(26)27/h2-12,25H,1H3/b22-20+,23-21+
InChIKeyICSWZOMEUQGFJZ-DQPVQCHKSA-N
MW425.43 g/mol
LogP5.53
Rot. Bonds6

About 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol

4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol (PubChem CID 141193213) has the molecular formula C19H15N5O5S and a molecular weight of 425.43 g/mol. Its IUPAC name is 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol.

Molecular Properties

Compound Name4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
PubChem CID141193213
Molecular FormulaC19H15N5O5S
Molecular Weight425.43 g/mol
Exact Mass425.08
IUPAC Name4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
SMILESCS(=O)(=O)c1ccc(O)c(/N=N/c2ccccc2/N=N/c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H15N5O5S/c1-30(28,29)13-10-11-19(25)17(12-13)23-21-15-7-3-2-6-14(15)20-22-16-8-4-5-9-18(16)24(26)27/h2-12,25H,1H3/b22-20+,23-21+
InChIKeyICSWZOMEUQGFJZ-DQPVQCHKSA-N
XLogP5.53
TPSA146.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2-(4-methylsulfonyl-2-nitrophenyl)sulfanylphenol
CID 62028778
4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
CID 3359294
2-nitroaniline;2-[(2-nitrophenyl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 161461978
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
2-[[4-[[hydroxy(oxido)amino]methyl]phenyl]diazenyl]-4-methylsulfonylphenol
CID 163585792
2,4-diamino-3-[(2-benzylphenyl)diazenyl]-5-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]benzenesulfonic acid
CID 136954758
4-methylsulfonyl-2-nitrophenol;4-nitropyridin-3-ol
CID 158327037
methanol;2-nitrophenol
CID 157303764

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol?
The IUPAC name of 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol (CID 141193213) is 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol.
What is the SMILES notation for 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol?
The canonical SMILES for 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol is CS(=O)(=O)c1ccc(O)c(/N=N/c2ccccc2/N=N/c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol?
The InChIKey is ICSWZOMEUQGFJZ-DQPVQCHKSA-N. The full InChI is InChI=1S/C19H15N5O5S/c1-30(28,29)13-10-11-19(25)17(12-13)23-21-15-7-3-2-6-14(15)20-22-16-8-4-5-9-18(16)24(26)27/h2-12,25H,1H3/b22-20+,23-21+.
What are the key properties of 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol?
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol has a molecular weight of 425.43 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol is sourced from PubChem (CID 141193213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).