2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C19H13F3N4O3S — CID 22313838

IUPAC2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1-n1nc(C(F)(F)F)cc1-c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H13F3N4O3S/c20-19(21,22)17-11-14(12-5-7-13(8-6-12)15-3-2-10-29-15)26(25-17)18-16(30(23,27)28)4-1-9-24-18/h1-11H,(H2,23,27,28)
InChIKeyBSTSECDVBFTDLH-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.86
Rot. Bonds4

About 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 22313838) has the molecular formula C19H13F3N4O3S and a molecular weight of 434.40 g/mol. Its IUPAC name is 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID22313838
Molecular FormulaC19H13F3N4O3S
Molecular Weight434.40 g/mol
Exact Mass434.07
IUPAC Name2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1-n1nc(C(F)(F)F)cc1-c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H13F3N4O3S/c20-19(21,22)17-11-14(12-5-7-13(8-6-12)15-3-2-10-29-15)26(25-17)18-16(30(23,27)28)4-1-9-24-18/h1-11H,(H2,23,27,28)
InChIKeyBSTSECDVBFTDLH-UHFFFAOYSA-N
XLogP3.86
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylphenyl]methanamine;hydrochloride
CID 22316908
2-[5-(1,3-benzodioxol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662519
4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
5-[4-(furan-2-yl)-2-methylphenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 22316649
4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 11567472
5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine
CID 162568526
2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662512
2-[3-(difluoromethyl)-5-[4-(furan-2-yl)phenyl]pyrazol-1-yl]-5-methylsulfonylpyridine
CID 20601429
2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887
1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 155676510
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 22313838) is 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1-n1nc(C(F)(F)F)cc1-c1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is BSTSECDVBFTDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S/c20-19(21,22)17-11-14(12-5-7-13(8-6-12)15-3-2-10-29-15)26(25-17)18-16(30(23,27)28)4-1-9-24-18/h1-11H,(H2,23,27,28).
What are the key properties of 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 434.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 22313838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).