4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide

C14H11FN4O2S — CID 20757672

IUPAC4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2S/c15-11-1-3-12(4-2-11)22(20,21)19-14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H2,17,18,19)
InChIKeyWYGAHGQLZAMUBX-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.41
Rot. Bonds4

About 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide

4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 20757672) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID20757672
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2S/c15-11-1-3-12(4-2-11)22(20,21)19-14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H2,17,18,19)
InChIKeyWYGAHGQLZAMUBX-UHFFFAOYSA-N
XLogP2.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide (CID 20757672) is 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1[nH]ncc1-c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is WYGAHGQLZAMUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c15-11-1-3-12(4-2-11)22(20,21)19-14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H2,17,18,19).
What are the key properties of 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 318.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20757672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).