1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide

C11H12FN3O2S — CID 75507133

IUPAC1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1nccc1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C11H12FN3O2S/c1-15-11(6-7-13-15)14-18(16,17)8-9-4-2-3-5-10(9)12/h2-7,14H,8H2,1H3
InChIKeyJURVCIOJNKCPIE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide

1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide (PubChem CID 75507133) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
PubChem CID75507133
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1nccc1NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C11H12FN3O2S/c1-15-11(6-7-13-15)14-18(16,17)8-9-4-2-3-5-10(9)12/h2-7,14H,8H2,1H3
InChIKeyJURVCIOJNKCPIE-UHFFFAOYSA-N
XLogP1.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide (CID 75507133) is 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide is Cn1nccc1NS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
The InChIKey is JURVCIOJNKCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-15-11(6-7-13-15)14-18(16,17)8-9-4-2-3-5-10(9)12/h2-7,14H,8H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 75507133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).