5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole

C10H11F3N4O3S — CID 118741312

IUPAC5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole
SMILESNS(=O)(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O3S/c11-10(12,13)6-17-8(9-2-1-3-20-9)4-7(16-17)5-15-21(14,18)19/h1-4,15H,5-6H2,(H2,14,18,19)
InChIKeyPVBPDPCWTYYPNK-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.00
Rot. Bonds5

About 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole

5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 118741312) has the molecular formula C10H11F3N4O3S and a molecular weight of 324.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID118741312
Molecular FormulaC10H11F3N4O3S
Molecular Weight324.28 g/mol
Exact Mass324.05
IUPAC Name5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole
SMILESNS(=O)(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O3S/c11-10(12,13)6-17-8(9-2-1-3-20-9)4-7(16-17)5-15-21(14,18)19/h1-4,15H,5-6H2,(H2,14,18,19)
InChIKeyPVBPDPCWTYYPNK-UHFFFAOYSA-N
XLogP1.00
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole (CID 118741312) is 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole is NS(=O)(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is PVBPDPCWTYYPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O3S/c11-10(12,13)6-17-8(9-2-1-3-20-9)4-7(16-17)5-15-21(14,18)19/h1-4,15H,5-6H2,(H2,14,18,19).
What are the key properties of 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole?
5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 324.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 118741312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).