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

C14H19N5O2S — CID 126771675

IUPAC2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)N3CCCC3C)cc2)n[nH]1
InChIInChI=1S/C14H19N5O2S/c1-10-4-3-9-19(10)22(20,21)18-13-7-5-12(6-8-13)14-15-11(2)16-17-14/h5-8,10,18H,3-4,9H2,1-2H3,(H,15,16,17)
InChIKeyBWDJJMKPXBDYJY-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.92
Rot. Bonds4

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

2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide (PubChem CID 126771675) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide
PubChem CID126771675
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)N3CCCC3C)cc2)n[nH]1
InChIInChI=1S/C14H19N5O2S/c1-10-4-3-9-19(10)22(20,21)18-13-7-5-12(6-8-13)14-15-11(2)16-17-14/h5-8,10,18H,3-4,9H2,1-2H3,(H,15,16,17)
InChIKeyBWDJJMKPXBDYJY-UHFFFAOYSA-N
XLogP1.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide (CID 126771675) is 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)N3CCCC3C)cc2)n[nH]1.
What is the InChIKey of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide?
The InChIKey is BWDJJMKPXBDYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-4-3-9-19(10)22(20,21)18-13-7-5-12(6-8-13)14-15-11(2)16-17-14/h5-8,10,18H,3-4,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide?
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126771675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).