2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

C15H18FN3O3S — CID 121017030

IUPAC2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCCO2)c1)c1ccccc1F
InChIInChI=1S/C15H18FN3O3S/c16-14-6-1-2-7-15(14)23(20,21)18-12-9-17-19(10-12)11-13-5-3-4-8-22-13/h1-2,6-7,9-10,13,18H,3-5,8,11H2
InChIKeyADFXJJQXQXLPJN-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.39
Rot. Bonds5

About 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 121017030) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID121017030
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCCO2)c1)c1ccccc1F
InChIInChI=1S/C15H18FN3O3S/c16-14-6-1-2-7-15(14)23(20,21)18-12-9-17-19(10-12)11-13-5-3-4-8-22-13/h1-2,6-7,9-10,13,18H,3-5,8,11H2
InChIKeyADFXJJQXQXLPJN-UHFFFAOYSA-N
XLogP2.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356355
2,5-dichloro-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356354
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
CID 129355346
4-ethoxy-3-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145415
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 129356517
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
2-(2-fluorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354491
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
CID 129354832
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
CID 154769117
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 121017030) is 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(CC2CCCCO2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is ADFXJJQXQXLPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c16-14-6-1-2-7-15(14)23(20,21)18-12-9-17-19(10-12)11-13-5-3-4-8-22-13/h1-2,6-7,9-10,13,18H,3-5,8,11H2.
What are the key properties of 2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.39, 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-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 121017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).