1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide

C12H14FN3O2S — CID 127266285

IUPAC1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccn[nH]2)cc1F
InChIInChI=1S/C12H14FN3O2S/c1-9-2-3-10(6-12(9)13)8-19(17,18)15-7-11-4-5-14-16-11/h2-6,15H,7-8H2,1H3,(H,14,16)
InChIKeyJVEHXMYLUYATRN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.48
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide

1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide (PubChem CID 127266285) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
PubChem CID127266285
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccn[nH]2)cc1F
InChIInChI=1S/C12H14FN3O2S/c1-9-2-3-10(6-12(9)13)8-19(17,18)15-7-11-4-5-14-16-11/h2-6,15H,7-8H2,1H3,(H,14,16)
InChIKeyJVEHXMYLUYATRN-UHFFFAOYSA-N
XLogP1.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide (CID 127266285) is 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ccn[nH]2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide?
The InChIKey is JVEHXMYLUYATRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-9-2-3-10(6-12(9)13)8-19(17,18)15-7-11-4-5-14-16-11/h2-6,15H,7-8H2,1H3,(H,14,16).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide?
1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 127266285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).