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

C16H15F2N3O3S — CID 22315523

IUPAC4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)o1
InChIInChI=1S/C16H15F2N3O3S/c1-9-7-13(10(2)24-9)15-8-14(16(17)18)20-21(15)11-3-5-12(6-4-11)25(19,22)23/h3-8,16H,1-2H3,(H2,19,22,23)
InChIKeyBRSNGJYGMJMUNG-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.33
Rot. Bonds4

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

4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315523) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315523
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)o1
InChIInChI=1S/C16H15F2N3O3S/c1-9-7-13(10(2)24-9)15-8-14(16(17)18)20-21(15)11-3-5-12(6-4-11)25(19,22)23/h3-8,16H,1-2H3,(H2,19,22,23)
InChIKeyBRSNGJYGMJMUNG-UHFFFAOYSA-N
XLogP3.33
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Benzofuran-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 10835226
4-[3-Difluoromethyl-5-(5-methyl-furan-2-yl)-pyrazol-1-yl]-benzenesulfonamide
CID 10618038
4-(5-Furan-2-yl-3-trifluoromethylpyrazol-1-yl)-benzenesulfonamide
CID 22315512
N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71797351
5-Furan-2-yl-1-(4-methanesulfonylphenyl)-3-trifluoromethyl-1h-pyrazole
CID 129885254
4-[5-[4-[6-(4-Methoxyphenyl)-6-oxohexyl]phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 154721114
4-(3-(Difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-4-formyl-1h-pyrazol-1-yl)benzenesulfonamide
CID 172914484
4-[5-Amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 2742753
5-[3-Fluoro-4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 9846575
4-[3-(Trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide
CID 15345558
5-[4-(Furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 15908389
4-[5-[4-(Furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 15908394

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (CID 22315523) is 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(C)o1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is BRSNGJYGMJMUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c1-9-7-13(10(2)24-9)15-8-14(16(17)18)20-21(15)11-3-5-12(6-4-11)25(19,22)23/h3-8,16H,1-2H3,(H2,19,22,23).
What are the key properties of 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 367.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).