4-amino-N-quinolin-8-ylbenzenesulfonamide

C15H13N3O2S — CID 748338

IUPAC4-amino-N-quinolin-8-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C15H13N3O2S/c16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,16H2
InChIKeyFVEDETFZSIPJEW-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-N-quinolin-8-ylbenzenesulfonamide

4-amino-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 748338) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-amino-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-quinolin-8-ylbenzenesulfonamide
PubChem CID748338
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-amino-N-quinolin-8-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C15H13N3O2S/c16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,16H2
InChIKeyFVEDETFZSIPJEW-UHFFFAOYSA-N
XLogP2.62
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-quinolin-8-ylbenzenesulfonamide (CID 748338) is 4-amino-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-quinolin-8-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 4-amino-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is FVEDETFZSIPJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,16H2.
What are the key properties of 4-amino-N-quinolin-8-ylbenzenesulfonamide?
4-amino-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 748338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).