2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C11H14N4O2S — CID 3113465

IUPAC2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nn2cnnc2)c(C)c1
InChIInChI=1S/C11H14N4O2S/c1-8-4-9(2)11(10(3)5-8)18(16,17)14-15-6-12-13-7-15/h4-7,14H,1-3H3
InChIKeyPFFIRTAFBDIMPV-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.14
Rot. Bonds3

About 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 3113465) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID3113465
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nn2cnnc2)c(C)c1
InChIInChI=1S/C11H14N4O2S/c1-8-4-9(2)11(10(3)5-8)18(16,17)14-15-6-12-13-7-15/h4-7,14H,1-3H3
InChIKeyPFFIRTAFBDIMPV-UHFFFAOYSA-N
XLogP1.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
CID 669300
1-((2,4,6-Trimethylphenyl)sulfonyl)-1H-1,2,4-triazole
CID 521491
1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole
CID 624916
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 2147927
2,4,5-trimethyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 6462308
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
3-Nitro-1-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole
CID 716901
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
CID 688072
1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole
CID 688654
5-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)-1H-1,2,4-triazole
CID 328629

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 3113465) is 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nn2cnnc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is PFFIRTAFBDIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8-4-9(2)11(10(3)5-8)18(16,17)14-15-6-12-13-7-15/h4-7,14H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3113465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).