1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide

C16H20FN3O3S — CID 128972001

IUPAC1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C16H20FN3O3S/c1-20-10-13(9-18-20)16-15(7-4-8-23-16)19-24(21,22)11-12-5-2-3-6-14(12)17/h2-3,5-6,9-10,15-16,19H,4,7-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyAIRMUCZREAOROI-JKSUJKDBSA-N
MW353.42 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide

1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide (PubChem CID 128972001) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
PubChem CID128972001
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C16H20FN3O3S/c1-20-10-13(9-18-20)16-15(7-4-8-23-16)19-24(21,22)11-12-5-2-3-6-14(12)17/h2-3,5-6,9-10,15-16,19H,4,7-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyAIRMUCZREAOROI-JKSUJKDBSA-N
XLogP1.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide (CID 128972001) is 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide is Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2ccccc2F)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
The InChIKey is AIRMUCZREAOROI-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-20-10-13(9-18-20)16-15(7-4-8-23-16)19-24(21,22)11-12-5-2-3-6-14(12)17/h2-3,5-6,9-10,15-16,19H,4,7-8,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methanesulfonamide is sourced from PubChem (CID 128972001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).