4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate

C24H20N5O5S2- — CID 173494979

IUPAC4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate
SMILESCS(=O)(=O)CNc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)[O-])c(/N=N/c3ccccc3)c2c1
InChIInChI=1S/C24H21N5O5S2/c1-36(33,34)15-25-18-12-13-19-20(14-18)21(28-26-16-8-4-2-5-9-16)24(35(31)32)22(23(19)30)29-27-17-10-6-3-7-11-17/h2-14,25,30H,15H2,1H3,(H,31,32)/p-1/b28-26+,29-27+
InChIKeyQVOLUXFEBKHZIN-TUUFZWAFSA-M
MW522.59 g/mol
LogP6.03
Rot. Bonds8

About 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate

4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate (PubChem CID 173494979) has the molecular formula C24H20N5O5S2- and a molecular weight of 522.59 g/mol. Its IUPAC name is 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate.

Molecular Properties

Compound Name4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate
PubChem CID173494979
Molecular FormulaC24H20N5O5S2-
Molecular Weight522.59 g/mol
Exact Mass522.09
IUPAC Name4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate
SMILESCS(=O)(=O)CNc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)[O-])c(/N=N/c3ccccc3)c2c1
InChIInChI=1S/C24H21N5O5S2/c1-36(33,34)15-25-18-12-13-19-20(14-18)21(28-26-16-8-4-2-5-9-16)24(35(31)32)22(23(19)30)29-27-17-10-6-3-7-11-17/h2-14,25,30H,15H2,1H3,(H,31,32)/p-1/b28-26+,29-27+
InChIKeyQVOLUXFEBKHZIN-TUUFZWAFSA-M
XLogP6.03
TPSA155.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum
CID 173494978
sodium (4-phenyldiazenylanilino)methanesulfonic acid
CID 54606161
4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 177409198
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
CID 135570888
7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid
CID 135819077
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
CID 3947723
4-hydroxy-7-(4-methoxyanilino)-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137002037
3-[(4-aminophenyl)diazenyl]-6-anilino-4-hydroxynaphthalene-2-sulfonic acid
CID 136917514
1-phenyldiazenyl-4-(sulfinatoamino)benzene
CID 22283664
ethane;hydrogen sulfite;8-methyl-2-phenyldiazenyl-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 136647028
7-anilino-4-hydroxy-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136785066
4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 154602868

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate?
The IUPAC name of 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate (CID 173494979) is 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate.
What is the SMILES notation for 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate?
The canonical SMILES for 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate is CS(=O)(=O)CNc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)[O-])c(/N=N/c3ccccc3)c2c1.
What is the InChIKey of 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate?
The InChIKey is QVOLUXFEBKHZIN-TUUFZWAFSA-M. The full InChI is InChI=1S/C24H21N5O5S2/c1-36(33,34)15-25-18-12-13-19-20(14-18)21(28-26-16-8-4-2-5-9-16)24(35(31)32)22(23(19)30)29-27-17-10-6-3-7-11-17/h2-14,25,30H,15H2,1H3,(H,31,32)/p-1/b28-26+,29-27+.
What are the key properties of 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate?
4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate has a molecular weight of 522.59 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate is sourced from PubChem (CID 173494979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).