1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol

C23H18N4O4S — CID 149280827

IUPAC1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol
SMILESO=S(=O)(CO)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H18N4O4S/c28-15-32(30,31)20-12-10-19(11-13-20)25-24-17-6-8-18(9-7-17)26-27-23-21-4-2-1-3-16(21)5-14-22(23)29/h1-14,28-29H,15H2/b25-24+,27-26+
InChIKeyXSXNVEIRWYDRSE-JQRDNDPDSA-N
MW446.49 g/mol
LogP6.10
Rot. Bonds6

About 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol

1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol (PubChem CID 149280827) has the molecular formula C23H18N4O4S and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol
PubChem CID149280827
Molecular FormulaC23H18N4O4S
Molecular Weight446.49 g/mol
Exact Mass446.10
IUPAC Name1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol
SMILESO=S(=O)(CO)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H18N4O4S/c28-15-32(30,31)20-12-10-19(11-13-20)25-24-17-6-8-18(9-7-17)26-27-23-21-4-2-1-3-16(21)5-14-22(23)29/h1-14,28-29H,15H2/b25-24+,27-26+
InChIKeyXSXNVEIRWYDRSE-JQRDNDPDSA-N
XLogP6.10
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

CID 170843851
CID 170843851
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]-N-oxobenzenesulfonamide
CID 147622226
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
CID 20170
sodium 6-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
CID 135666569
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
CID 170850429
CID 170850429
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol (CID 149280827) is 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol is O=S(=O)(CO)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol?
The InChIKey is XSXNVEIRWYDRSE-JQRDNDPDSA-N. The full InChI is InChI=1S/C23H18N4O4S/c28-15-32(30,31)20-12-10-19(11-13-20)25-24-17-6-8-18(9-7-17)26-27-23-21-4-2-1-3-16(21)5-14-22(23)29/h1-14,28-29H,15H2/b25-24+,27-26+.
What are the key properties of 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol?
1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol has a molecular weight of 446.49 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 149280827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).