N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide

C14H21N5O3S — CID 71929385

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)N1CCCC1c1ccc(C)o1
InChIInChI=1S/C14H21N5O3S/c1-3-18-10-15-17-14(18)9-16-23(20,21)19-8-4-5-12(19)13-7-6-11(2)22-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3
InChIKeyVOXHNADBGXSOCZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.37
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 71929385) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide
PubChem CID71929385
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)N1CCCC1c1ccc(C)o1
InChIInChI=1S/C14H21N5O3S/c1-3-18-10-15-17-14(18)9-16-23(20,21)19-8-4-5-12(19)13-7-6-11(2)22-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3
InChIKeyVOXHNADBGXSOCZ-UHFFFAOYSA-N
XLogP1.37
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide (CID 71929385) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide is CCn1cnnc1CNS(=O)(=O)N1CCCC1c1ccc(C)o1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is VOXHNADBGXSOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-3-18-10-15-17-14(18)9-16-23(20,21)19-8-4-5-12(19)13-7-6-11(2)22-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(5-methylfuran-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71929385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).