6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum

C24H20MoN5O5S2- — CID 173494978

IUPAC6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum
SMILESCS(=O)(=O)CNc1ccc2c(O)c(/N=N/c3ccccc3)c([S-](=O)=O)c(/N=N/c3ccccc3)c2c1.[Mo]
InChIInChI=1S/C24H20N5O5S2.Mo/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;/q-1;/b28-26+,29-27+;
InChIKeyFKXMMTDQVFMWGO-JBQZZDHSSA-N
MW618.53 g/mol
LogP6.46
Rot. Bonds8

About 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum

6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum (PubChem CID 173494978) has the molecular formula C24H20MoN5O5S2- and a molecular weight of 618.53 g/mol. Its IUPAC name is 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum.

Molecular Properties

Compound Name6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum
PubChem CID173494978
Molecular FormulaC24H20MoN5O5S2-
Molecular Weight618.53 g/mol
Exact Mass620.00
IUPAC Name6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum
SMILESCS(=O)(=O)CNc1ccc2c(O)c(/N=N/c3ccccc3)c([S-](=O)=O)c(/N=N/c3ccccc3)c2c1.[Mo]
InChIInChI=1S/C24H20N5O5S2.Mo/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;/q-1;/b28-26+,29-27+;
InChIKeyFKXMMTDQVFMWGO-JBQZZDHSSA-N
XLogP6.46
TPSA149.98 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.53
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-7-(methylsulfonylmethylamino)-1,3-bis(phenyldiazenyl)naphthalene-2-sulfinate
CID 173494979
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
4-hydroxy-7-(4-methoxyanilino)-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137002037
7-amino-4-hydroxy-1-phenyldiazenylnaphthalene-2-sulfonic acid
CID 135819077
3-[(4-aminophenyl)diazenyl]-6-anilino-4-hydroxynaphthalene-2-sulfonic acid
CID 136917514
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
CID 135570888
4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 154602868
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
CID 3947723
disodium;6-acetamido-4-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]naphthalene-2,7-disulfonate;4-(benzylamino)benzenesulfonamide
CID 173058194
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
CID 170843193
CID 170843193

Frequently Asked Questions

What is the IUPAC name of 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum?
The IUPAC name of 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum (CID 173494978) is 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum.
What is the SMILES notation for 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum?
The canonical SMILES for 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum is CS(=O)(=O)CNc1ccc2c(O)c(/N=N/c3ccccc3)c([S-](=O)=O)c(/N=N/c3ccccc3)c2c1.[Mo].
What is the InChIKey of 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum?
The InChIKey is FKXMMTDQVFMWGO-JBQZZDHSSA-N. The full InChI is InChI=1S/C24H20N5O5S2.Mo/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;/q-1;/b28-26+,29-27+;.
What are the key properties of 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum?
6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum has a molecular weight of 618.53 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylsulfonylmethylamino)-2,4-bis(phenyldiazenyl)-3-sulfinatonaphthalen-1-ol;molybdenum is sourced from PubChem (CID 173494978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).