5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide

C7H8F3N5O3S — CID 168719652

IUPAC5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2n[nH]c(C(F)(F)F)n2)C1
InChIInChI=1S/C7H8F3N5O3S/c8-7(9,10)5-12-6(14-13-5)15-2-3(1-4(15)16)19(11,17)18/h3H,1-2H2,(H2,11,17,18)(H,12,13,14)
InChIKeyDNECKLSLTMYITI-UHFFFAOYSA-N
MW299.23 g/mol
LogP-0.78
Rot. Bonds2

About 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide

5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide (PubChem CID 168719652) has the molecular formula C7H8F3N5O3S and a molecular weight of 299.23 g/mol. Its IUPAC name is 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
PubChem CID168719652
Molecular FormulaC7H8F3N5O3S
Molecular Weight299.23 g/mol
Exact Mass299.03
IUPAC Name5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2n[nH]c(C(F)(F)F)n2)C1
InChIInChI=1S/C7H8F3N5O3S/c8-7(9,10)5-12-6(14-13-5)15-2-3(1-4(15)16)19(11,17)18/h3H,1-2H2,(H2,11,17,18)(H,12,13,14)
InChIKeyDNECKLSLTMYITI-UHFFFAOYSA-N
XLogP-0.78
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethynyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168503090
4-(bromomethyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168506409
1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714654
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719368
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719239
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
methyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168714000
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide (CID 168719652) is 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2n[nH]c(C(F)(F)F)n2)C1.
What is the InChIKey of 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide?
The InChIKey is DNECKLSLTMYITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O3S/c8-7(9,10)5-12-6(14-13-5)15-2-3(1-4(15)16)19(11,17)18/h3H,1-2H2,(H2,11,17,18)(H,12,13,14).
What are the key properties of 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide?
5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide has a molecular weight of 299.23 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).