2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide

C14H16FN3O3S — CID 51957062

IUPAC2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1F
InChIInChI=1S/C14H16FN3O3S/c15-13-5-1-2-6-14(13)22(19,20)17-11-8-16-18(9-11)10-12-4-3-7-21-12/h1-2,5-6,8-9,12,17H,3-4,7,10H2/t12-/m1/s1
InChIKeyOWEHRBKJRXEMRA-GFCCVEGCSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds5

About 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide

2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 51957062) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID51957062
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1F
InChIInChI=1S/C14H16FN3O3S/c15-13-5-1-2-6-14(13)22(19,20)17-11-8-16-18(9-11)10-12-4-3-7-21-12/h1-2,5-6,8-9,12,17H,3-4,7,10H2/t12-/m1/s1
InChIKeyOWEHRBKJRXEMRA-GFCCVEGCSA-N
XLogP2.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide (CID 51957062) is 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is OWEHRBKJRXEMRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c15-13-5-1-2-6-14(13)22(19,20)17-11-8-16-18(9-11)10-12-4-3-7-21-12/h1-2,5-6,8-9,12,17H,3-4,7,10H2/t12-/m1/s1.
What are the key properties of 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 325.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 51957062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).