8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide

C17H19FN4O2S — CID 95168496

IUPAC8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
SMILESCC(C)Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)n(C)n1
InChIInChI=1S/C17H19FN4O2S/c1-11(2)9-12-10-16(22(3)20-12)21-25(23,24)15-7-6-14(18)17-13(15)5-4-8-19-17/h4-8,10-11,21H,9H2,1-3H3
InChIKeyWYKIJUHUNQCIEO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds5

About 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide

8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide (PubChem CID 95168496) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
PubChem CID95168496
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
SMILESCC(C)Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)n(C)n1
InChIInChI=1S/C17H19FN4O2S/c1-11(2)9-12-10-16(22(3)20-12)21-25(23,24)15-7-6-14(18)17-13(15)5-4-8-19-17/h4-8,10-11,21H,9H2,1-3H3
InChIKeyWYKIJUHUNQCIEO-UHFFFAOYSA-N
XLogP3.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-Indazol-1-ylpyrimidin-2-ylamino)-benzenesulfonamide
CID 24959532
4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
CID 149094700
N-[{1-(4-Fluorophenyl)-5-isobutyl-1H-pyrazol-3-yl}methyl]quinoline-8-sulfonamide
CID 118512804
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]quinoline-8-sulfonamide
CID 44312757
N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide
CID 4686459
1,3-dimethyl-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 16673855
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 24793265
N-(2-phenylpyrazol-3-yl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide
CID 73346374
N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 122184281
4-methyl-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzenesulfonamide
CID 122184282

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide (CID 95168496) is 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide is CC(C)Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)n(C)n1.
What is the InChIKey of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
The InChIKey is WYKIJUHUNQCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-11(2)9-12-10-16(22(3)20-12)21-25(23,24)15-7-6-14(18)17-13(15)5-4-8-19-17/h4-8,10-11,21H,9H2,1-3H3.
What are the key properties of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide has a molecular weight of 362.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 95168496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).