2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C21H15F3N4O4S — CID 20601426

IUPAC2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)c(C(N)=O)c2)nc1
InChIInChI=1S/C21H15F3N4O4S/c1-33(30,31)13-5-7-19(26-11-13)28-16(10-18(27-28)21(22,23)24)12-4-6-14(15(9-12)20(25)29)17-3-2-8-32-17/h2-11H,1H3,(H2,25,29)
InChIKeyRTYBDSFNSYNBEF-UHFFFAOYSA-N
MW476.44 g/mol
LogP3.72
Rot. Bonds5

About 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 20601426) has the molecular formula C21H15F3N4O4S and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID20601426
Molecular FormulaC21H15F3N4O4S
Molecular Weight476.44 g/mol
Exact Mass476.08
IUPAC Name2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)c(C(N)=O)c2)nc1
InChIInChI=1S/C21H15F3N4O4S/c1-33(30,31)13-5-7-19(26-11-13)28-16(10-18(27-28)21(22,23)24)12-4-6-14(15(9-12)20(25)29)17-3-2-8-32-17/h2-11H,1H3,(H2,25,29)
InChIKeyRTYBDSFNSYNBEF-UHFFFAOYSA-N
XLogP3.72
TPSA121.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 20601426) is 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccco3)c(C(N)=O)c2)nc1.
What is the InChIKey of 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is RTYBDSFNSYNBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4S/c1-33(30,31)13-5-7-19(26-11-13)28-16(10-18(27-28)21(22,23)24)12-4-6-14(15(9-12)20(25)29)17-3-2-8-32-17/h2-11H,1H3,(H2,25,29).
What are the key properties of 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 476.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 20601426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).