N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

C16H10F3N5O3S — CID 10024466

IUPACN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O3S/c17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13/h1-9,23H
InChIKeyPRUWJBFRAMJSOY-UHFFFAOYSA-N
MW409.35 g/mol
LogP3.20
Rot. Bonds4

About N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (PubChem CID 10024466) has the molecular formula C16H10F3N5O3S and a molecular weight of 409.35 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
PubChem CID10024466
Molecular FormulaC16H10F3N5O3S
Molecular Weight409.35 g/mol
Exact Mass409.05
IUPAC NameN-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O3S/c17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13/h1-9,23H
InChIKeyPRUWJBFRAMJSOY-UHFFFAOYSA-N
XLogP3.20
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (CID 10024466) is N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.
What is the InChIKey of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The InChIKey is PRUWJBFRAMJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O3S/c17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13/h1-9,23H.
What are the key properties of N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide has a molecular weight of 409.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10024466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).