N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide

C17H13FN2O3S — CID 31914602

IUPACN-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H13FN2O3S/c1-11(21)12-5-2-3-7-15(12)20-24(22,23)16-9-8-14(18)17-13(16)6-4-10-19-17/h2-10,20H,1H3
InChIKeyXBNROGKOKIMHML-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.38
Rot. Bonds4

About N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide

N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide (PubChem CID 31914602) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide
PubChem CID31914602
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H13FN2O3S/c1-11(21)12-5-2-3-7-15(12)20-24(22,23)16-9-8-14(18)17-13(16)6-4-10-19-17/h2-10,20H,1H3
InChIKeyXBNROGKOKIMHML-UHFFFAOYSA-N
XLogP3.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide?
The IUPAC name of N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide (CID 31914602) is N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide?
The InChIKey is XBNROGKOKIMHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-11(21)12-5-2-3-7-15(12)20-24(22,23)16-9-8-14(18)17-13(16)6-4-10-19-17/h2-10,20H,1H3.
What are the key properties of N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide?
N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide has a molecular weight of 344.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-8-fluoroquinoline-5-sulfonamide is sourced from PubChem (CID 31914602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).