2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C10H12N6O3S2 — CID 2200722

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C10H12N6O3S2/c11-9-14-10(16-15-9)20-5-8(17)13-6-1-3-7(4-2-6)21(12,18)19/h1-4H,5H2,(H,13,17)(H2,12,18,19)(H3,11,14,15,16)
InChIKeyZKXLNQOLNONYDJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP-0.23
Rot. Bonds5

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2200722) has the molecular formula C10H12N6O3S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2200722
Molecular FormulaC10H12N6O3S2
Molecular Weight328.38 g/mol
Exact Mass328.04
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C10H12N6O3S2/c11-9-14-10(16-15-9)20-5-8(17)13-6-1-3-7(4-2-6)21(12,18)19/h1-4H,5H2,(H,13,17)(H2,12,18,19)(H3,11,14,15,16)
InChIKeyZKXLNQOLNONYDJ-UHFFFAOYSA-N
XLogP-0.23
TPSA156.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2200722) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is ZKXLNQOLNONYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S2/c11-9-14-10(16-15-9)20-5-8(17)13-6-1-3-7(4-2-6)21(12,18)19/h1-4H,5H2,(H,13,17)(H2,12,18,19)(H3,11,14,15,16).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 328.38 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2200722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).