N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide

C14H11FN4O2S — CID 75448211

IUPACN-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H11FN4O2S/c15-13-9-16-7-6-14(13)18-22(20,21)12-8-17-19(10-12)11-4-2-1-3-5-11/h1-10H,(H,16,18)
InChIKeyADUGMUMDACPIBS-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.21
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide

N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 75448211) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID75448211
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC NameN-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H11FN4O2S/c15-13-9-16-7-6-14(13)18-22(20,21)12-8-17-19(10-12)11-4-2-1-3-5-11/h1-10H,(H,16,18)
InChIKeyADUGMUMDACPIBS-UHFFFAOYSA-N
XLogP2.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide (CID 75448211) is N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide is O=S(=O)(Nc1ccncc1F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is ADUGMUMDACPIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c15-13-9-16-7-6-14(13)18-22(20,21)12-8-17-19(10-12)11-4-2-1-3-5-11/h1-10H,(H,16,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide?
N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 318.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 75448211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).