N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide

C10H13N5O3S — CID 83095311

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CCc2ccncc2)n1
InChIInChI=1S/C10H13N5O3S/c1-18-10-12-9(13-14-10)15-19(16,17)7-4-8-2-5-11-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,12,13,14,15)
InChIKeyYECUSNATJGOSKH-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.19
Rot. Bonds6

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 83095311) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide
PubChem CID83095311
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CCc2ccncc2)n1
InChIInChI=1S/C10H13N5O3S/c1-18-10-12-9(13-14-10)15-19(16,17)7-4-8-2-5-11-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,12,13,14,15)
InChIKeyYECUSNATJGOSKH-UHFFFAOYSA-N
XLogP0.19
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
(2S,3R)-3-hydroxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 104965164
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide (CID 83095311) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide is COc1n[nH]c(NS(=O)(=O)CCc2ccncc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is YECUSNATJGOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-18-10-12-9(13-14-10)15-19(16,17)7-4-8-2-5-11-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 83095311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).