3-pyridin-2-ylsulfonylquinolin-8-amine

C14H11N3O2S — CID 86706011

IUPAC3-pyridin-2-ylsulfonylquinolin-8-amine
SMILESNc1cccc2cc(S(=O)(=O)c3ccccn3)cnc12
InChIInChI=1S/C14H11N3O2S/c15-12-5-3-4-10-8-11(9-17-14(10)12)20(18,19)13-6-1-2-7-16-13/h1-9H,15H2
InChIKeyOXNLRRFBXQQLKG-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.04
Rot. Bonds2

About 3-pyridin-2-ylsulfonylquinolin-8-amine

3-pyridin-2-ylsulfonylquinolin-8-amine (PubChem CID 86706011) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-pyridin-2-ylsulfonylquinolin-8-amine.

Molecular Properties

Compound Name3-pyridin-2-ylsulfonylquinolin-8-amine
PubChem CID86706011
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-pyridin-2-ylsulfonylquinolin-8-amine
SMILESNc1cccc2cc(S(=O)(=O)c3ccccn3)cnc12
InChIInChI=1S/C14H11N3O2S/c15-12-5-3-4-10-8-11(9-17-14(10)12)20(18,19)13-6-1-2-7-16-13/h1-9H,15H2
InChIKeyOXNLRRFBXQQLKG-UHFFFAOYSA-N
XLogP2.04
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride
CID 162126753
3-(3-fluorophenyl)sulfonylquinolin-8-amine
CID 67314085
8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
CID 72721841
ethane;quinolin-8-amine
CID 91158659
naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
CID 175008828
zinc;naphthalene-1,5-disulfonate;quinolin-8-amine
CID 175009147
3-propan-2-ylquinolin-8-amine
CID 170777119
8-aminoquinoline-3-carbonitrile
CID 131425885
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
CID 175476137
CID 175476137
methyl 3-pyridin-2-ylsulfonylbenzoate
CID 66872637
8-methylquinoline-3-sulfonyl chloride
CID 130417856

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylsulfonylquinolin-8-amine?
The IUPAC name of 3-pyridin-2-ylsulfonylquinolin-8-amine (CID 86706011) is 3-pyridin-2-ylsulfonylquinolin-8-amine.
What is the SMILES notation for 3-pyridin-2-ylsulfonylquinolin-8-amine?
The canonical SMILES for 3-pyridin-2-ylsulfonylquinolin-8-amine is Nc1cccc2cc(S(=O)(=O)c3ccccn3)cnc12.
What is the InChIKey of 3-pyridin-2-ylsulfonylquinolin-8-amine?
The InChIKey is OXNLRRFBXQQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-12-5-3-4-10-8-11(9-17-14(10)12)20(18,19)13-6-1-2-7-16-13/h1-9H,15H2.
What are the key properties of 3-pyridin-2-ylsulfonylquinolin-8-amine?
3-pyridin-2-ylsulfonylquinolin-8-amine has a molecular weight of 285.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylsulfonylquinolin-8-amine is sourced from PubChem (CID 86706011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).