CID 87126465

C10H8Na2O7S2 — CID 87126465

IUPAC—
SMILESO=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1.[Na].[Na]
InChIInChI=1S/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;
InChIKeyVMCCJZMDNVPYDT-UHFFFAOYSA-N
MW350.28 g/mol
LogP0.28
Rot. Bonds2

About CID 87126465

CID 87126465 (PubChem CID 87126465) has the molecular formula C10H8Na2O7S2 and a molecular weight of 350.28 g/mol.

Molecular Properties

Compound NameCID 87126465
PubChem CID87126465
Molecular FormulaC10H8Na2O7S2
Molecular Weight350.28 g/mol
Exact Mass349.95
IUPAC Name—
SMILESO=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1.[Na].[Na]
InChIInChI=1S/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;
InChIKeyVMCCJZMDNVPYDT-UHFFFAOYSA-N
XLogP0.28
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze CID 87126465 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

7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid
CID 20586983
sodium 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid
CID 54608541
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319
4-hydroxy-7-[[4-[[4-[(5-hydroxy-7-sulfonaphthalen-2-yl)sulfamoyl]phenyl]carbamoylamino]phenyl]sulfonylamino]naphthalene-2-sulfonic acid
CID 88674250
Chromotropic acid sodium salt
CID 88518702
3-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]benzoic acid
CID 15450962
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
7-[[2,6-dihydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 135854012
7-amino-4-hydroxynaphthalene-2-sulfonate
CID 22096616
3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
CID 86057490
7-[(4-fluorophenyl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
CID 155589449
2-hydroxy-5-[(5-hydroxy-7-sulfonaphthalen-2-yl)-methylsulfamoyl]benzoic acid
CID 102601252

Frequently Asked Questions

What is the IUPAC name of CID 87126465?
The IUPAC name of CID 87126465 (CID 87126465) is not available.
What is the SMILES notation for CID 87126465?
The canonical SMILES for CID 87126465 is O=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1.[Na].[Na].
What is the InChIKey of CID 87126465?
The InChIKey is VMCCJZMDNVPYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;.
What are the key properties of CID 87126465?
CID 87126465 has a molecular weight of 350.28 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87126465 is sourced from PubChem (CID 87126465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).