N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide

C12H15N3O2S — CID 104693966

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-15-11(7-9-13-15)8-10-14-18(16,17)12-5-3-2-4-6-12/h2-7,9,14H,8,10H2,1H3
InChIKeyJLPGLIDDOIDYKN-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide

N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 104693966) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
PubChem CID104693966
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-15-11(7-9-13-15)8-10-14-18(16,17)12-5-3-2-4-6-12/h2-7,9,14H,8,10H2,1H3
InChIKeyJLPGLIDDOIDYKN-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
1-[2-(benzenesulfonamido)ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955706
3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693945
3-cyano-4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693958
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide (CID 104693966) is N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide is Cn1nccc1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is JLPGLIDDOIDYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-11(7-9-13-15)8-10-14-18(16,17)12-5-3-2-4-6-12/h2-7,9,14H,8,10H2,1H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 104693966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).