8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide

C20H18FN5O2S — CID 60534420

IUPAC8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide
SMILESCC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c3ncccc23)n[nH]1
InChIInChI=1S/C20H18FN5O2S/c1-12(2)19-23-20(25-24-19)13-6-3-4-8-16(13)26-29(27,28)17-10-9-15(21)18-14(17)7-5-11-22-18/h3-12,26H,1-2H3,(H,23,24,25)
InChIKeyRCFLNIMPZSWMAQ-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.08
Rot. Bonds5

About 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide

8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide (PubChem CID 60534420) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide
PubChem CID60534420
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide
SMILESCC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c3ncccc23)n[nH]1
InChIInChI=1S/C20H18FN5O2S/c1-12(2)19-23-20(25-24-19)13-6-3-4-8-16(13)26-29(27,28)17-10-9-15(21)18-14(17)7-5-11-22-18/h3-12,26H,1-2H3,(H,23,24,25)
InChIKeyRCFLNIMPZSWMAQ-UHFFFAOYSA-N
XLogP4.08
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide with MolForge

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Related Compounds

2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52700448
4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 60534452
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
CID 60534314
8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
CID 31914993
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide
CID 97185724
8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
CID 95168496
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
CID 60532006
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 47068379
6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
CID 167777413

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide (CID 60534420) is 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide is CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c3ncccc23)n[nH]1.
What is the InChIKey of 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide?
The InChIKey is RCFLNIMPZSWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-12(2)19-23-20(25-24-19)13-6-3-4-8-16(13)26-29(27,28)17-10-9-15(21)18-14(17)7-5-11-22-18/h3-12,26H,1-2H3,(H,23,24,25).
What are the key properties of 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide?
8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide has a molecular weight of 411.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide is sourced from PubChem (CID 60534420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).