N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide

C10H10FN5O3S — CID 61129965

IUPACN-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)c(F)c1
InChIInChI=1S/C10H10FN5O3S/c11-8-3-7(20(12,18)19)1-2-9(8)15-10(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)(H2,12,18,19)
InChIKeyWAFYWLPWOQSIJT-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 61129965) has the molecular formula C10H10FN5O3S and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID61129965
Molecular FormulaC10H10FN5O3S
Molecular Weight299.29 g/mol
Exact Mass299.05
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)c(F)c1
InChIInChI=1S/C10H10FN5O3S/c11-8-3-7(20(12,18)19)1-2-9(8)15-10(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)(H2,12,18,19)
InChIKeyWAFYWLPWOQSIJT-UHFFFAOYSA-N
XLogP-0.30
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61130568
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61130531
N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 146122005
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 61405729
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 113234244
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 61129965) is N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is WAFYWLPWOQSIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O3S/c11-8-3-7(20(12,18)19)1-2-9(8)15-10(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)(H2,12,18,19).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 299.29 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 61129965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).