4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C12H14FN3O3S — CID 86818505

IUPAC4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccnn2C)ccc1F
InChIInChI=1S/C12H14FN3O3S/c1-16-9(5-6-14-16)8-15-20(17,18)10-3-4-11(13)12(7-10)19-2/h3-7,15H,8H2,1-2H3
InChIKeyAPVZMZYFMQGFAP-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.05
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 86818505) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID86818505
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccnn2C)ccc1F
InChIInChI=1S/C12H14FN3O3S/c1-16-9(5-6-14-16)8-15-20(17,18)10-3-4-11(13)12(7-10)19-2/h3-7,15H,8H2,1-2H3
InChIKeyAPVZMZYFMQGFAP-UHFFFAOYSA-N
XLogP1.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 86818505) is 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccnn2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is APVZMZYFMQGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-16-9(5-6-14-16)8-15-20(17,18)10-3-4-11(13)12(7-10)19-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 86818505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).