2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine

C15H16N4O3S — CID 970919

IUPAC2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1
InChIInChI=1S/C15H16N4O3S/c1-2-23(20,21)19-15(16-11-13-9-6-10-22-13)17-14(18-19)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,16,17,18)
InChIKeyMPABATCFWLADHN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.35
Rot. Bonds6

About 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine

2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 970919) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine
PubChem CID970919
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1
InChIInChI=1S/C15H16N4O3S/c1-2-23(20,21)19-15(16-11-13-9-6-10-22-13)17-14(18-19)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,16,17,18)
InChIKeyMPABATCFWLADHN-UHFFFAOYSA-N
XLogP2.35
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine 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-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine (CID 970919) is 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine is CCS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1.
What is the InChIKey of 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is MPABATCFWLADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-2-23(20,21)19-15(16-11-13-9-6-10-22-13)17-14(18-19)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,16,17,18).
What are the key properties of 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine?
2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 332.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 970919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).