2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide

C18H17FN4O3S — CID 147046397

IUPAC2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)CC1=NN=C(c2ccccn2)C1
InChIInChI=1S/C18H17FN4O3S/c1-12(23-27(25,26)18-8-3-2-6-14(18)19)17(24)11-13-10-16(22-21-13)15-7-4-5-9-20-15/h2-9,12,23H,10-11H2,1H3/t12-/m0/s1
InChIKeyBALQVYZOXYRZKZ-LBPRGKRZSA-N
MW388.42 g/mol
LogP2.10
Rot. Bonds7

About 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide

2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide (PubChem CID 147046397) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide
PubChem CID147046397
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)CC1=NN=C(c2ccccn2)C1
InChIInChI=1S/C18H17FN4O3S/c1-12(23-27(25,26)18-8-3-2-6-14(18)19)17(24)11-13-10-16(22-21-13)15-7-4-5-9-20-15/h2-9,12,23H,10-11H2,1H3/t12-/m0/s1
InChIKeyBALQVYZOXYRZKZ-LBPRGKRZSA-N
XLogP2.10
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide (CID 147046397) is 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)CC1=NN=C(c2ccccn2)C1.
What is the InChIKey of 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is BALQVYZOXYRZKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-12(23-27(25,26)18-8-3-2-6-14(18)19)17(24)11-13-10-16(22-21-13)15-7-4-5-9-20-15/h2-9,12,23H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 147046397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).