4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide

C14H13F2N5O2S — CID 22148980

IUPAC4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2N2C=CNC=C2)cc1
InChIInChI=1S/C14H13F2N5O2S/c15-14(16)12-9-13(20-7-5-18-6-8-20)21(19-12)10-1-3-11(4-2-10)24(17,22)23/h1-9,14,18H,(H2,17,22,23)
InChIKeyVRJCOFZYVMJDFX-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.81
Rot. Bonds4

About 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22148980) has the molecular formula C14H13F2N5O2S and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22148980
Molecular FormulaC14H13F2N5O2S
Molecular Weight353.35 g/mol
Exact Mass353.08
IUPAC Name4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2N2C=CNC=C2)cc1
InChIInChI=1S/C14H13F2N5O2S/c15-14(16)12-9-13(20-7-5-18-6-8-20)21(19-12)10-1-3-11(4-2-10)24(17,22)23/h1-9,14,18H,(H2,17,22,23)
InChIKeyVRJCOFZYVMJDFX-UHFFFAOYSA-N
XLogP1.81
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide (CID 22148980) is 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2N2C=CNC=C2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is VRJCOFZYVMJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2S/c15-14(16)12-9-13(20-7-5-18-6-8-20)21(19-12)10-1-3-11(4-2-10)24(17,22)23/h1-9,14,18H,(H2,17,22,23).
What are the key properties of 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(1H-pyrazin-4-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22148980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).