N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide

C9H11N5O3S — CID 113456582

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C9H11N5O3S/c1-2-17-9-11-8(12-13-9)14-18(15,16)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H2,11,12,13,14)
InChIKeyUTQWMBJHHWFXFP-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.40
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide (PubChem CID 113456582) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
PubChem CID113456582
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C9H11N5O3S/c1-2-17-9-11-8(12-13-9)14-18(15,16)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H2,11,12,13,14)
InChIKeyUTQWMBJHHWFXFP-UHFFFAOYSA-N
XLogP0.40
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
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)propane-1-sulfonamide
CID 104818544
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
CID 104818665
2-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]acetic acid
CID 104816689
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
N-propylpyridine-3-sulfonamide
CID 43258995
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methoxypyridine-4-carboxamide
CID 105064012
4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 108781539

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide (CID 113456582) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide is CCOc1n[nH]c(NS(=O)(=O)c2cccnc2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is UTQWMBJHHWFXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-2-17-9-11-8(12-13-9)14-18(15,16)7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 269.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 113456582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).