2-amino-N-quinolin-8-ylbenzenesulfonamide

C15H13N3O2S — CID 1070159

IUPAC2-amino-N-quinolin-8-ylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
InChIKeyNIOOKXAMJQVDGB-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-N-quinolin-8-ylbenzenesulfonamide

2-amino-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 1070159) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-amino-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-quinolin-8-ylbenzenesulfonamide
PubChem CID1070159
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-amino-N-quinolin-8-ylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
InChIKeyNIOOKXAMJQVDGB-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 2-amino-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2-amino-N-quinolin-8-ylbenzenesulfonamide (CID 1070159) is 2-amino-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-quinolin-8-ylbenzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-amino-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is NIOOKXAMJQVDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2.
What are the key properties of 2-amino-N-quinolin-8-ylbenzenesulfonamide?
2-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 2-amino-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 1070159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).