N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride

C10H11ClN4O3S2 — CID 125424916

IUPACN-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride
SMILESCC[S@@](=O)(=NS(=O)(=O)Cl)c1nncn1-c1ccccc1
InChIInChI=1S/C10H11ClN4O3S2/c1-2-19(16,14-20(11,17)18)10-13-12-8-15(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/t19-/m0/s1
InChIKeyDZTVHWIYJYACHD-IBGZPJMESA-N
MW334.81 g/mol
LogP1.60
Rot. Bonds4

About N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride

N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 125424916) has the molecular formula C10H11ClN4O3S2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID125424916
Molecular FormulaC10H11ClN4O3S2
Molecular Weight334.81 g/mol
Exact Mass334.00
IUPAC NameN-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride
SMILESCC[S@@](=O)(=NS(=O)(=O)Cl)c1nncn1-c1ccccc1
InChIInChI=1S/C10H11ClN4O3S2/c1-2-19(16,14-20(11,17)18)10-13-12-8-15(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/t19-/m0/s1
InChIKeyDZTVHWIYJYACHD-IBGZPJMESA-N
XLogP1.60
TPSA94.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride (CID 125424916) is N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride is CC[S@@](=O)(=NS(=O)(=O)Cl)c1nncn1-c1ccccc1.
What is the InChIKey of N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is DZTVHWIYJYACHD-IBGZPJMESA-N. The full InChI is InChI=1S/C10H11ClN4O3S2/c1-2-19(16,14-20(11,17)18)10-13-12-8-15(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/t19-/m0/s1.
What are the key properties of N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride?
N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 334.81 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-oxo-(4-phenyl-1,2,4-triazol-3-yl)-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 125424916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).