4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide

C17H15F2N3O2S2 — CID 67743721

IUPAC4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15F2N3O2S2/c1-25-16-5-3-2-4-13(16)15-10-14(17(18)19)21-22(15)11-6-8-12(9-7-11)26(20,23)24/h2-10,17H,1H3,(H2,20,23,24)
InChIKeyWFLXVKVSNOYVFY-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.85
Rot. Bonds5

About 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67743721) has the molecular formula C17H15F2N3O2S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67743721
Molecular FormulaC17H15F2N3O2S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15F2N3O2S2/c1-25-16-5-3-2-4-13(16)15-10-14(17(18)19)21-22(15)11-6-8-12(9-7-11)26(20,23)24/h2-10,17H,1H3,(H2,20,23,24)
InChIKeyWFLXVKVSNOYVFY-UHFFFAOYSA-N
XLogP3.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 67743721) is 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide is CSc1ccccc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is WFLXVKVSNOYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S2/c1-25-16-5-3-2-4-13(16)15-10-14(17(18)19)21-22(15)11-6-8-12(9-7-11)26(20,23)24/h2-10,17H,1H3,(H2,20,23,24).
What are the key properties of 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67743721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).