3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C11H12FN3O3S — CID 54897609

IUPAC3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C11H12FN3O3S/c1-18-11-3-2-9(4-10(11)12)19(16,17)15-7-8-5-13-14-6-8/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyINQFSZKHFACUBR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.04
Rot. Bonds5

About 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 54897609) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID54897609
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C11H12FN3O3S/c1-18-11-3-2-9(4-10(11)12)19(16,17)15-7-8-5-13-14-6-8/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyINQFSZKHFACUBR-UHFFFAOYSA-N
XLogP1.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 54897609) is 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is INQFSZKHFACUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-18-11-3-2-9(4-10(11)12)19(16,17)15-7-8-5-13-14-6-8/h2-6,15H,7H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54897609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).