2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide

C13H19N5O3S — CID 71873051

IUPAC2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(C2CCCN2S(=O)(=O)NCCn2cncn2)o1
InChIInChI=1S/C13H19N5O3S/c1-11-4-5-13(21-11)12-3-2-7-18(12)22(19,20)16-6-8-17-10-14-9-15-17/h4-5,9-10,12,16H,2-3,6-8H2,1H3
InChIKeyAEWRZBYWNQUYBJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.85
Rot. Bonds6

About 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide

2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 71873051) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID71873051
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1ccc(C2CCCN2S(=O)(=O)NCCn2cncn2)o1
InChIInChI=1S/C13H19N5O3S/c1-11-4-5-13(21-11)12-3-2-7-18(12)22(19,20)16-6-8-17-10-14-9-15-17/h4-5,9-10,12,16H,2-3,6-8H2,1H3
InChIKeyAEWRZBYWNQUYBJ-UHFFFAOYSA-N
XLogP0.85
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide (CID 71873051) is 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide is Cc1ccc(C2CCCN2S(=O)(=O)NCCn2cncn2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is AEWRZBYWNQUYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-11-4-5-13(21-11)12-3-2-7-18(12)22(19,20)16-6-8-17-10-14-9-15-17/h4-5,9-10,12,16H,2-3,6-8H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide?
2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71873051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).