4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide

C16H15N3O2S — CID 102171410

IUPAC4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(N)cc3)c2n1
InChIInChI=1S/C16H15N3O2S/c1-11-5-6-12-3-2-4-15(16(12)18-11)19-22(20,21)14-9-7-13(17)8-10-14/h2-10,19H,17H2,1H3
InChIKeyKNNBCKCRMMYSKD-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.93
Rot. Bonds3

About 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide

4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 102171410) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide
PubChem CID102171410
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(N)cc3)c2n1
InChIInChI=1S/C16H15N3O2S/c1-11-5-6-12-3-2-4-15(16(12)18-11)19-22(20,21)14-9-7-13(17)8-10-14/h2-10,19H,17H2,1H3
InChIKeyKNNBCKCRMMYSKD-UHFFFAOYSA-N
XLogP2.93
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.93
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-(2-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide (CID 102171410) is 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3ccc(N)cc3)c2n1.
What is the InChIKey of 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is KNNBCKCRMMYSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-5-6-12-3-2-4-15(16(12)18-11)19-22(20,21)14-9-7-13(17)8-10-14/h2-10,19H,17H2,1H3.
What are the key properties of 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide?
4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 102171410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).