2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide

C15H15FN4O3S — CID 128971441

IUPAC2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(F)c2C#N)cn1
InChIInChI=1S/C15H15FN4O3S/c1-20-9-10(8-18-20)15-13(5-6-23-15)19-24(21,22)14-4-2-3-12(16)11(14)7-17/h2-4,8-9,13,15,19H,5-6H2,1H3/t13-,15+/m0/s1
InChIKeyVDPFFCICYORVLB-DZGCQCFKSA-N
MW350.38 g/mol
LogP1.24
Rot. Bonds4

About 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide

2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide (PubChem CID 128971441) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
PubChem CID128971441
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(F)c2C#N)cn1
InChIInChI=1S/C15H15FN4O3S/c1-20-9-10(8-18-20)15-13(5-6-23-15)19-24(21,22)14-4-2-3-12(16)11(14)7-17/h2-4,8-9,13,15,19H,5-6H2,1H3/t13-,15+/m0/s1
InChIKeyVDPFFCICYORVLB-DZGCQCFKSA-N
XLogP1.24
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide (CID 128971441) is 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide is Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(F)c2C#N)cn1.
What is the InChIKey of 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is VDPFFCICYORVLB-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-20-9-10(8-18-20)15-13(5-6-23-15)19-24(21,22)14-4-2-3-12(16)11(14)7-17/h2-4,8-9,13,15,19H,5-6H2,1H3/t13-,15+/m0/s1.
What are the key properties of 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 350.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 128971441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).