4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide

C15H12F2N4O3S — CID 90285786

IUPAC4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F2N4O3S/c16-15(17)24-11-4-6-12(7-5-11)25(22,23)20-14-8-10-19-21(14)13-3-1-2-9-18-13/h1-10,15,20H
InChIKeyCOEBTTDNOVBDSF-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.67
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide

4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 90285786) has the molecular formula C15H12F2N4O3S and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID90285786
Molecular FormulaC15H12F2N4O3S
Molecular Weight366.35 g/mol
Exact Mass366.06
IUPAC Name4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F2N4O3S/c16-15(17)24-11-4-6-12(7-5-11)25(22,23)20-14-8-10-19-21(14)13-3-1-2-9-18-13/h1-10,15,20H
InChIKeyCOEBTTDNOVBDSF-UHFFFAOYSA-N
XLogP2.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide (CID 90285786) is 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is COEBTTDNOVBDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3S/c16-15(17)24-11-4-6-12(7-5-11)25(22,23)20-14-8-10-19-21(14)13-3-1-2-9-18-13/h1-10,15,20H.
What are the key properties of 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 366.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 90285786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).