N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide

C13H18N4O3S — CID 104818633

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C13H18N4O3S/c1-5-20-13-14-12(15-16-13)17-21(18,19)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyBEALAQGYMYCTEZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.93
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 104818633) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID104818633
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C13H18N4O3S/c1-5-20-13-14-12(15-16-13)17-21(18,19)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyBEALAQGYMYCTEZ-UHFFFAOYSA-N
XLogP1.93
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 104818544
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
CID 104818665
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
CID 113456582
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid
CID 104816689
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 113456543
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 83093255
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyethanesulfonamide
CID 113456567
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-1-sulfonamide
CID 107858868

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide (CID 104818633) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide is CCOc1n[nH]c(NS(=O)(=O)c2c(C)cc(C)cc2C)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is BEALAQGYMYCTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-5-20-13-14-12(15-16-13)17-21(18,19)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 104818633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).