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

C13H18N4O2S — CID 15943551

IUPAC2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2cncn2)c(C)c1
InChIInChI=1S/C13H18N4O2S/c1-10-6-11(2)13(12(3)7-10)20(18,19)16-4-5-17-9-14-8-15-17/h6-9,16H,4-5H2,1-3H3
InChIKeyDZOROHNYWXIFAI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.18
Rot. Bonds5

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

2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 15943551) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID15943551
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2cncn2)c(C)c1
InChIInChI=1S/C13H18N4O2S/c1-10-6-11(2)13(12(3)7-10)20(18,19)16-4-5-17-9-14-8-15-17/h6-9,16H,4-5H2,1-3H3
InChIKeyDZOROHNYWXIFAI-UHFFFAOYSA-N
XLogP1.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15668303
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 22208789
N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide
CID 155316060
2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207248
2,4,6-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207299
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide
CID 18957975
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
CID 107327911
2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641451
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide (CID 15943551) is 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCn2cncn2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is DZOROHNYWXIFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-6-11(2)13(12(3)7-10)20(18,19)16-4-5-17-9-14-8-15-17/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.18, 5 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-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 15943551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).