2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C11H14N4O2S — CID 6462308

IUPAC2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncn[nH]2)cc1C
InChIInChI=1S/C11H14N4O2S/c1-7-4-9(3)10(5-8(7)2)18(16,17)15-11-12-6-13-14-11/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyHEISJWPOGGSTFM-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.53
Rot. Bonds3

About 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 6462308) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID6462308
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncn[nH]2)cc1C
InChIInChI=1S/C11H14N4O2S/c1-7-4-9(3)10(5-8(7)2)18(16,17)15-11-12-6-13-14-11/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyHEISJWPOGGSTFM-UHFFFAOYSA-N
XLogP1.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-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

Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-((2,4,6-Trimethylphenyl)sulfonyl)-1H-1,2,4-triazole
CID 521491
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 2147927
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3113465
1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole
CID 688654
N-(1H-1,2,4-triazol-5-yl)naphthalene-2-sulfonamide
CID 965236
2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 797067
Cambridge id 6680415
CID 23684918
2-methyl-N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 72108904
4-methyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 744331
4-Fluoro-2-methyl-n-(1h-[1,2,4]triazol-3-yl)-benzenesulfonamide
CID 52100225
4-fluoro-3-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 52100332

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 6462308) is 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ncn[nH]2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is HEISJWPOGGSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-4-9(3)10(5-8(7)2)18(16,17)15-11-12-6-13-14-11/h4-6H,1-3H3,(H2,12,13,14,15).
What are the key properties of 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 6462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).