N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide

C7H10N6O2S — CID 103943314

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc[nH]1)c1ncn[nH]1
InChIInChI=1S/C7H10N6O2S/c1-5(7-10-4-11-12-7)13-16(14,15)6-2-8-3-9-6/h2-5,13H,1H3,(H,8,9)(H,10,11,12)
InChIKeyDWFRGCBTKUWDMS-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.43
Rot. Bonds4

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 103943314) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID103943314
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc[nH]1)c1ncn[nH]1
InChIInChI=1S/C7H10N6O2S/c1-5(7-10-4-11-12-7)13-16(14,15)6-2-8-3-9-6/h2-5,13H,1H3,(H,8,9)(H,10,11,12)
InChIKeyDWFRGCBTKUWDMS-UHFFFAOYSA-N
XLogP-0.43
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283934
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106282276

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide (CID 103943314) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide is CC(NS(=O)(=O)c1cnc[nH]1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is DWFRGCBTKUWDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-5(7-10-4-11-12-7)13-16(14,15)6-2-8-3-9-6/h2-5,13H,1H3,(H,8,9)(H,10,11,12).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103943314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).