N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide

C11H12FN5O3S — CID 60983592

IUPACN-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ncn[nH]2)c(F)c1
InChIInChI=1S/C11H12FN5O3S/c1-7(18)16-8-2-3-10(9(12)4-8)21(19,20)15-5-11-13-6-14-17-11/h2-4,6,15H,5H2,1H3,(H,16,18)(H,13,14,17)
InChIKeyFZBHPZNCWPWCEH-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.38
Rot. Bonds5

About N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide

N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 60983592) has the molecular formula C11H12FN5O3S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID60983592
Molecular FormulaC11H12FN5O3S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC NameN-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ncn[nH]2)c(F)c1
InChIInChI=1S/C11H12FN5O3S/c1-7(18)16-8-2-3-10(9(12)4-8)21(19,20)15-5-11-13-6-14-17-11/h2-4,6,15H,5H2,1H3,(H,16,18)(H,13,14,17)
InChIKeyFZBHPZNCWPWCEH-UHFFFAOYSA-N
XLogP0.38
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide (CID 60983592) is N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ncn[nH]2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is FZBHPZNCWPWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3S/c1-7(18)16-8-2-3-10(9(12)4-8)21(19,20)15-5-11-13-6-14-17-11/h2-4,6,15H,5H2,1H3,(H,16,18)(H,13,14,17).
What are the key properties of N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 313.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 60983592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).