N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide

C10H11N5O3S — CID 4256602

IUPACN-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N5O3S/c1-7(16)13-8-2-4-9(5-3-8)19(17,18)15-10-11-6-12-14-10/h2-6H,1H3,(H,13,16)(H2,11,12,14,15)
InChIKeyPIYLQFQKSGNWCS-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.56
Rot. Bonds4

About N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide

N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 4256602) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID4256602
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N5O3S/c1-7(16)13-8-2-4-9(5-3-8)19(17,18)15-10-11-6-12-14-10/h2-6H,1H3,(H,13,16)(H2,11,12,14,15)
InChIKeyPIYLQFQKSGNWCS-UHFFFAOYSA-N
XLogP0.56
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide (CID 4256602) is N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is PIYLQFQKSGNWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-7(16)13-8-2-4-9(5-3-8)19(17,18)15-10-11-6-12-14-10/h2-6H,1H3,(H,13,16)(H2,11,12,14,15).
What are the key properties of N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide?
N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 281.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4256602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).