N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H10F3N3O3S — CID 67647755

IUPACN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccco1)c1ccccc1
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)13-9-11(12-7-4-8-23-12)20(18-13)19-24(21,22)10-5-2-1-3-6-10/h1-9,19H
InChIKeyHVXKKEUEERWKCT-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.09
Rot. Bonds4

About N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67647755) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67647755
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccco1)c1ccccc1
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)13-9-11(12-7-4-8-23-12)20(18-13)19-24(21,22)10-5-2-1-3-6-10/h1-9,19H
InChIKeyHVXKKEUEERWKCT-UHFFFAOYSA-N
XLogP3.09
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
Phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
CID 164616544
5-[5-(2,4-Difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
CID 2805865
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)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 101866384
5-Furan-2-yl-1-(4-methanesulfonylphenyl)-3-trifluoromethyl-1h-pyrazole
CID 129885254
4-fluoro-N-(2-((6-(furan-2-yl)pyridazin-3-yl)oxy)ethyl)benzenesulfonamide
CID 18588396
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329423
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67647755) is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccco1)c1ccccc1.
What is the InChIKey of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HVXKKEUEERWKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-14(16,17)13-9-11(12-7-4-8-23-12)20(18-13)19-24(21,22)10-5-2-1-3-6-10/h1-9,19H.
What are the key properties of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 357.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67647755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).