CID 57351349

C13H10N2NaO3S — CID 57351349

IUPAC—
SMILESO=S(=O)(Oc1ccccc1)c1nc2ccccc2[nH]1.[Na]
InChIInChI=1S/C13H10N2O3S.Na/c16-19(17,18-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);
InChIKeyWYGAOZZSULVRSS-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.95
Rot. Bonds3

About CID 57351349

CID 57351349 (PubChem CID 57351349) has the molecular formula C13H10N2NaO3S and a molecular weight of 297.29 g/mol.

Molecular Properties

Compound NameCID 57351349
PubChem CID57351349
Molecular FormulaC13H10N2NaO3S
Molecular Weight297.29 g/mol
Exact Mass297.03
IUPAC Name—
SMILESO=S(=O)(Oc1ccccc1)c1nc2ccccc2[nH]1.[Na]
InChIInChI=1S/C13H10N2O3S.Na/c16-19(17,18-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);
InChIKeyWYGAOZZSULVRSS-UHFFFAOYSA-N
XLogP1.95
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

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1H-benzimidazol-2-yl naphthalene-2-sulfonate
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[3-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
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3-(1H-benzimidazol-2-yloxy)benzoic acid
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1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
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Frequently Asked Questions

What is the IUPAC name of CID 57351349?
The IUPAC name of CID 57351349 (CID 57351349) is not available.
What is the SMILES notation for CID 57351349?
The canonical SMILES for CID 57351349 is O=S(=O)(Oc1ccccc1)c1nc2ccccc2[nH]1.[Na].
What is the InChIKey of CID 57351349?
The InChIKey is WYGAOZZSULVRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S.Na/c16-19(17,18-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);.
What are the key properties of CID 57351349?
CID 57351349 has a molecular weight of 297.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57351349 is sourced from PubChem (CID 57351349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).