CID 131880907

C10H10N4NaO2S — CID 131880907

IUPAC—
SMILESNc1ccc(S(=O)(=O)Nc2cnccn2)cc1.[Na]
InChIInChI=1S/C10H10N4O2S.Na/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10;/h1-7H,11H2,(H,13,14);
InChIKeyOTQCWTWJMHJIRG-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.48
Rot. Bonds3

About CID 131880907

CID 131880907 (PubChem CID 131880907) has the molecular formula C10H10N4NaO2S and a molecular weight of 273.27 g/mol.

Molecular Properties

Compound NameCID 131880907
PubChem CID131880907
Molecular FormulaC10H10N4NaO2S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC Name—
SMILESNc1ccc(S(=O)(=O)Nc2cnccn2)cc1.[Na]
InChIInChI=1S/C10H10N4O2S.Na/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10;/h1-7H,11H2,(H,13,14);
InChIKeyOTQCWTWJMHJIRG-UHFFFAOYSA-N
XLogP0.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
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4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
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CID 174728998
4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
CID 60823106
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
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4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of CID 131880907?
The IUPAC name of CID 131880907 (CID 131880907) is not available.
What is the SMILES notation for CID 131880907?
The canonical SMILES for CID 131880907 is Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1.[Na].
What is the InChIKey of CID 131880907?
The InChIKey is OTQCWTWJMHJIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S.Na/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10;/h1-7H,11H2,(H,13,14);.
What are the key properties of CID 131880907?
CID 131880907 has a molecular weight of 273.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131880907 is sourced from PubChem (CID 131880907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).