N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C12H15N5O3S — CID 9179281

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1
InChIInChI=1S/C12H15N5O3S/c1-16(2)21(19,20)11-5-3-10(4-6-11)15-12(18)7-17-9-13-8-14-17/h3-6,8-9H,7H2,1-2H3,(H,15,18)
InChIKeyBUHNLBINNAORRR-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.17
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 9179281) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID9179281
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1
InChIInChI=1S/C12H15N5O3S/c1-16(2)21(19,20)11-5-3-10(4-6-11)15-12(18)7-17-9-13-8-14-17/h3-6,8-9H,7H2,1-2H3,(H,15,18)
InChIKeyBUHNLBINNAORRR-UHFFFAOYSA-N
XLogP0.17
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 9179281) is N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BUHNLBINNAORRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-16(2)21(19,20)11-5-3-10(4-6-11)15-12(18)7-17-9-13-8-14-17/h3-6,8-9H,7H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 9179281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).