2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide

C12H12N4O3S2 — CID 2462840

IUPAC2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1
InChIInChI=1S/C12H12N4O3S2/c13-21(18,19)10-4-2-9(3-5-10)16-11(17)8-20-12-14-6-1-7-15-12/h1-7H,8H2,(H,16,17)(H2,13,18,19)
InChIKeyIDLFWVFBRUIZHU-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.85
Rot. Bonds5

About 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide

2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2462840) has the molecular formula C12H12N4O3S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID2462840
Molecular FormulaC12H12N4O3S2
Molecular Weight324.39 g/mol
Exact Mass324.04
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1
InChIInChI=1S/C12H12N4O3S2/c13-21(18,19)10-4-2-9(3-5-10)16-11(17)8-20-12-14-6-1-7-15-12/h1-7H,8H2,(H,16,17)(H2,13,18,19)
InChIKeyIDLFWVFBRUIZHU-UHFFFAOYSA-N
XLogP0.85
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 2462840) is 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is IDLFWVFBRUIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S2/c13-21(18,19)10-4-2-9(3-5-10)16-11(17)8-20-12-14-6-1-7-15-12/h1-7H,8H2,(H,16,17)(H2,13,18,19).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2462840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).