N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide

C14H20N4O2S — CID 6499830

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)n2nc(C)nc2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-10-5-7-14(8-6-10)21(19,20)15-9-11(2)18-13(4)16-12(3)17-18/h5-8,11,15H,9H2,1-4H3
InChIKeyAAQFADRWGLRXJK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 6499830) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID6499830
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)n2nc(C)nc2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-10-5-7-14(8-6-10)21(19,20)15-9-11(2)18-13(4)16-12(3)17-18/h5-8,11,15H,9H2,1-4H3
InChIKeyAAQFADRWGLRXJK-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide 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 N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide (CID 6499830) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)n2nc(C)nc2C)cc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is AAQFADRWGLRXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-5-7-14(8-6-10)21(19,20)15-9-11(2)18-13(4)16-12(3)17-18/h5-8,11,15H,9H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6499830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).