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

C11H13N5O3S2 — CID 2208686

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C11H13N5O3S2/c1-7-13-11(16-15-7)20-6-10(17)14-8-2-4-9(5-3-8)21(12,18)19/h2-5H,6H2,1H3,(H,14,17)(H2,12,18,19)(H,13,15,16)
InChIKeyCPEVVEIZWHBJFX-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.49
Rot. Bonds5

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

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2208686) has the molecular formula C11H13N5O3S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2208686
Molecular FormulaC11H13N5O3S2
Molecular Weight327.39 g/mol
Exact Mass327.05
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C11H13N5O3S2/c1-7-13-11(16-15-7)20-6-10(17)14-8-2-4-9(5-3-8)21(12,18)19/h2-5H,6H2,1H3,(H,14,17)(H2,12,18,19)(H,13,15,16)
InChIKeyCPEVVEIZWHBJFX-UHFFFAOYSA-N
XLogP0.49
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2208686) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is Cc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is CPEVVEIZWHBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S2/c1-7-13-11(16-15-7)20-6-10(17)14-8-2-4-9(5-3-8)21(12,18)19/h2-5H,6H2,1H3,(H,14,17)(H2,12,18,19)(H,13,15,16).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 327.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2208686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).