sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate

C15H12N3NaO5S — CID 23675788

IUPACsodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate
SMILESNc1ccc(S(=O)(=O)Nc2c([O-])c3ccc(N)cc3oc2=O)cc1.[Na+]
InChIInChI=1S/C15H13N3O5S.Na/c16-8-1-4-10(5-2-8)24(21,22)18-13-14(19)11-6-3-9(17)7-12(11)23-15(13)20;/h1-7,18-19H,16-17H2;/q;+1/p-1
InChIKeyCPCIVVFVNCSNQW-UHFFFAOYSA-M
MW369.33 g/mol
LogP-2.16
Rot. Bonds3

About sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate

sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate (PubChem CID 23675788) has the molecular formula C15H12N3NaO5S and a molecular weight of 369.33 g/mol. Its IUPAC name is sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate.

Molecular Properties

Compound Namesodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate
PubChem CID23675788
Molecular FormulaC15H12N3NaO5S
Molecular Weight369.33 g/mol
Exact Mass369.04
IUPAC Namesodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate
SMILESNc1ccc(S(=O)(=O)Nc2c([O-])c3ccc(N)cc3oc2=O)cc1.[Na+]
InChIInChI=1S/C15H13N3O5S.Na/c16-8-1-4-10(5-2-8)24(21,22)18-13-14(19)11-6-3-9(17)7-12(11)23-15(13)20;/h1-7,18-19H,16-17H2;/q;+1/p-1
InChIKeyCPCIVVFVNCSNQW-UHFFFAOYSA-M
XLogP-2.16
TPSA151.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate?
The IUPAC name of sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate (CID 23675788) is sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate.
What is the SMILES notation for sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate?
The canonical SMILES for sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate is Nc1ccc(S(=O)(=O)Nc2c([O-])c3ccc(N)cc3oc2=O)cc1.[Na+].
What is the InChIKey of sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate?
The InChIKey is CPCIVVFVNCSNQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13N3O5S.Na/c16-8-1-4-10(5-2-8)24(21,22)18-13-14(19)11-6-3-9(17)7-12(11)23-15(13)20;/h1-7,18-19H,16-17H2;/q;+1/p-1.
What are the key properties of sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate?
sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate has a molecular weight of 369.33 g/mol, XLogP of -2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-amino-3-[(4-aminophenyl)sulfonylamino]-2-oxochromen-4-olate is sourced from PubChem (CID 23675788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).