2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide

C11H14N4O3S — CID 121177465

IUPAC2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCn1nccn1
InChIInChI=1S/C11H14N4O3S/c1-18-10-4-2-3-5-11(10)19(16,17)14-8-9-15-12-6-7-13-15/h2-7,14H,8-9H2,1H3
InChIKeyLSYUVYJQDFRPEF-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.27
Rot. Bonds6

About 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide

2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 121177465) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
PubChem CID121177465
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCn1nccn1
InChIInChI=1S/C11H14N4O3S/c1-18-10-4-2-3-5-11(10)19(16,17)14-8-9-15-12-6-7-13-15/h2-7,14H,8-9H2,1H3
InChIKeyLSYUVYJQDFRPEF-UHFFFAOYSA-N
XLogP0.27
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide (CID 121177465) is 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCCn1nccn1.
What is the InChIKey of 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is LSYUVYJQDFRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-18-10-4-2-3-5-11(10)19(16,17)14-8-9-15-12-6-7-13-15/h2-7,14H,8-9H2,1H3.
What are the key properties of 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide?
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121177465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).