4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide

C16H14F2N4O2S — CID 19355407

IUPAC4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide
SMILESCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)c1C(F)F
InChIInChI=1S/C16H14F2N4O2S/c1-22-15(16(17)18)13(10-6-8-20-9-7-10)14(21-22)11-2-4-12(5-3-11)25(19,23)24/h2-9,16H,1H3,(H2,19,23,24)
InChIKeyCYNXQRLZBVTKQJ-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.73
Rot. Bonds4

About 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide

4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide (PubChem CID 19355407) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide
PubChem CID19355407
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide
SMILESCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)c1C(F)F
InChIInChI=1S/C16H14F2N4O2S/c1-22-15(16(17)18)13(10-6-8-20-9-7-10)14(21-22)11-2-4-12(5-3-11)25(19,23)24/h2-9,16H,1H3,(H2,19,23,24)
InChIKeyCYNXQRLZBVTKQJ-UHFFFAOYSA-N
XLogP2.73
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide (CID 19355407) is 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide is Cn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccncc2)c1C(F)F.
What is the InChIKey of 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is CYNXQRLZBVTKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-15(16(17)18)13(10-6-8-20-9-7-10)14(21-22)11-2-4-12(5-3-11)25(19,23)24/h2-9,16H,1H3,(H2,19,23,24).
What are the key properties of 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide?
4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).