N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide

C16H14FN3O2S — CID 47092048

IUPACN-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14FN3O2S/c1-19(16-10-6-5-9-15(16)17)23(21,22)14-11-18-20(12-14)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyFBQANDFGKSRVNX-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.84
Rot. Bonds4

About N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide

N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 47092048) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID47092048
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14FN3O2S/c1-19(16-10-6-5-9-15(16)17)23(21,22)14-11-18-20(12-14)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyFBQANDFGKSRVNX-UHFFFAOYSA-N
XLogP2.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide (CID 47092048) is N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide is CN(c1ccccc1F)S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is FBQANDFGKSRVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-19(16-10-6-5-9-15(16)17)23(21,22)14-11-18-20(12-14)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide?
N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 47092048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).