N-phenyl-N-prop-2-enylquinoline-8-sulfonamide

C18H16N2O2S — CID 6621373

IUPACN-phenyl-N-prop-2-enylquinoline-8-sulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H16N2O2S/c1-2-14-20(16-10-4-3-5-11-16)23(21,22)17-12-6-8-15-9-7-13-19-18(15)17/h2-13H,1,14H2
InChIKeyDDEIIBZLLMAAFU-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.62
Rot. Bonds5

About N-phenyl-N-prop-2-enylquinoline-8-sulfonamide

N-phenyl-N-prop-2-enylquinoline-8-sulfonamide (PubChem CID 6621373) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enylquinoline-8-sulfonamide
PubChem CID6621373
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-phenyl-N-prop-2-enylquinoline-8-sulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H16N2O2S/c1-2-14-20(16-10-4-3-5-11-16)23(21,22)17-12-6-8-15-9-7-13-19-18(15)17/h2-13H,1,14H2
InChIKeyDDEIIBZLLMAAFU-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enylquinoline-8-sulfonamide?
The IUPAC name of N-phenyl-N-prop-2-enylquinoline-8-sulfonamide (CID 6621373) is N-phenyl-N-prop-2-enylquinoline-8-sulfonamide.
What is the SMILES notation for N-phenyl-N-prop-2-enylquinoline-8-sulfonamide?
The canonical SMILES for N-phenyl-N-prop-2-enylquinoline-8-sulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-phenyl-N-prop-2-enylquinoline-8-sulfonamide?
The InChIKey is DDEIIBZLLMAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-14-20(16-10-4-3-5-11-16)23(21,22)17-12-6-8-15-9-7-13-19-18(15)17/h2-13H,1,14H2.
What are the key properties of N-phenyl-N-prop-2-enylquinoline-8-sulfonamide?
N-phenyl-N-prop-2-enylquinoline-8-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enylquinoline-8-sulfonamide is sourced from PubChem (CID 6621373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).