N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide

C7H10N6O2S — CID 102693334

IUPACN-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c14-16(15,7-1-2-8-11-7)10-4-6-13-5-3-9-12-13/h1-3,5,10H,4,6H2,(H,8,11)
InChIKeyXIIQSZLMULUJQG-UHFFFAOYSA-N
MW242.26 g/mol
LogP-1.02
Rot. Bonds5

About N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide

N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693334) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693334
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC NameN-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c14-16(15,7-1-2-8-11-7)10-4-6-13-5-3-9-12-13/h1-3,5,10H,4,6H2,(H,8,11)
InChIKeyXIIQSZLMULUJQG-UHFFFAOYSA-N
XLogP-1.02
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
3-(ethylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-2-sulfonamide
CID 103307155
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162

Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 102693334) is N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCn1ccnn1)c1ccn[nH]1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is XIIQSZLMULUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c14-16(15,7-1-2-8-11-7)10-4-6-13-5-3-9-12-13/h1-3,5,10H,4,6H2,(H,8,11).
What are the key properties of N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).