3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide

C14H16FN3O4S — CID 72719683

IUPAC3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1F
InChIInChI=1S/C14H16FN3O4S/c1-21-14-3-2-12(6-13(14)15)23(19,20)17-10-7-16-18(8-10)11-4-5-22-9-11/h2-3,6-8,11,17H,4-5,9H2,1H3
InChIKeyMEJHMYZTUFNMKU-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.79
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 72719683) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID72719683
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1F
InChIInChI=1S/C14H16FN3O4S/c1-21-14-3-2-12(6-13(14)15)23(19,20)17-10-7-16-18(8-10)11-4-5-22-9-11/h2-3,6-8,11,17H,4-5,9H2,1H3
InChIKeyMEJHMYZTUFNMKU-UHFFFAOYSA-N
XLogP1.79
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428238
4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597852
3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 71810300
3-nitro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597867
4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
CID 154743695
4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622401
4-ethoxy-3-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145415
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
CID 97428228
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 122356980
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
CID 97428277

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide (CID 72719683) is 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MEJHMYZTUFNMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-21-14-3-2-12(6-13(14)15)23(19,20)17-10-7-16-18(8-10)11-4-5-22-9-11/h2-3,6-8,11,17H,4-5,9H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 341.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 72719683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).