4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

C16H14FN3O2S — CID 10520508

IUPAC4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CF)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H14FN3O2S/c17-11-13-10-16(12-4-2-1-3-5-12)20(19-13)14-6-8-15(9-7-14)23(18,21)22/h1-10H,11H2,(H2,18,21,22)
InChIKeyRXVOZHMWIDRVAW-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.66
Rot. Bonds4

About 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 10520508) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID10520508
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CF)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H14FN3O2S/c17-11-13-10-16(12-4-2-1-3-5-12)20(19-13)14-6-8-15(9-7-14)23(18,21)22/h1-10H,11H2,(H2,18,21,22)
InChIKeyRXVOZHMWIDRVAW-UHFFFAOYSA-N
XLogP2.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 10520508) is 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CF)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is RXVOZHMWIDRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-11-13-10-16(12-4-2-1-3-5-12)20(19-13)14-6-8-15(9-7-14)23(18,21)22/h1-10H,11H2,(H2,18,21,22).
What are the key properties of 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10520508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).