4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide

C13H20N4O2S — CID 6496908

IUPAC4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C(C)C)CN2)cc1
InChIInChI=1S/C13H20N4O2S/c1-10(2)17-8-14-13(15-9-17)16-20(18,19)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyOKOZBVDZFRUYAT-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.86
Rot. Bonds3

About 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide

4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide (PubChem CID 6496908) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide
PubChem CID6496908
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C(C)C)CN2)cc1
InChIInChI=1S/C13H20N4O2S/c1-10(2)17-8-14-13(15-9-17)16-20(18,19)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyOKOZBVDZFRUYAT-UHFFFAOYSA-N
XLogP0.86
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide 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 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide (CID 6496908) is 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(C(C)C)CN2)cc1.
What is the InChIKey of 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide?
The InChIKey is OKOZBVDZFRUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-10(2)17-8-14-13(15-9-17)16-20(18,19)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide?
4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propan-2-yl-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 6496908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).