2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide

C18H21N5O5S — CID 121117846

IUPAC2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(OC)c1
InChIInChI=1S/C18H21N5O5S/c1-22-17(14-6-4-5-9-19-14)21-23(18(22)24)11-10-20-29(25,26)16-8-7-13(27-2)12-15(16)28-3/h4-9,12,20H,10-11H2,1-3H3
InChIKeyDILJEDIOIMVUCE-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.64
Rot. Bonds8

About 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide

2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 121117846) has the molecular formula C18H21N5O5S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID121117846
Molecular FormulaC18H21N5O5S
Molecular Weight419.46 g/mol
Exact Mass419.13
IUPAC Name2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(OC)c1
InChIInChI=1S/C18H21N5O5S/c1-22-17(14-6-4-5-9-19-14)21-23(18(22)24)11-10-20-29(25,26)16-8-7-13(27-2)12-15(16)28-3/h4-9,12,20H,10-11H2,1-3H3
InChIKeyDILJEDIOIMVUCE-UHFFFAOYSA-N
XLogP0.64
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614672
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121117828
N-(2,5-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116983
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 121077844
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90539276
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-(3,4-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116982
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22208571
2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 86266233
2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
CID 121116005

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide (CID 121117846) is 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is DILJEDIOIMVUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5S/c1-22-17(14-6-4-5-9-19-14)21-23(18(22)24)11-10-20-29(25,26)16-8-7-13(27-2)12-15(16)28-3/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121117846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).