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

C11H12FN5O3S — CID 61130531

IUPACN-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1F)n1cncn1
InChIInChI=1S/C11H12FN5O3S/c1-7(17-6-14-5-15-17)11(18)16-10-3-2-8(4-9(10)12)21(13,19)20/h2-7H,1H3,(H,16,18)(H2,13,19,20)
InChIKeyILBRJPSVBDRTQX-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.26
Rot. Bonds4

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

N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 61130531) has the molecular formula C11H12FN5O3S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID61130531
Molecular FormulaC11H12FN5O3S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1F)n1cncn1
InChIInChI=1S/C11H12FN5O3S/c1-7(17-6-14-5-15-17)11(18)16-10-3-2-8(4-9(10)12)21(13,19)20/h2-7H,1H3,(H,16,18)(H2,13,19,20)
InChIKeyILBRJPSVBDRTQX-UHFFFAOYSA-N
XLogP0.26
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61129965
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75520222
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75517942
tert-butyl N-[4-fluoro-3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]carbamate
CID 56789257
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 61130531) is N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1F)n1cncn1.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ILBRJPSVBDRTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3S/c1-7(17-6-14-5-15-17)11(18)16-10-3-2-8(4-9(10)12)21(13,19)20/h2-7H,1H3,(H,16,18)(H2,13,19,20).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 313.31 g/mol, XLogP of 0.26, 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)propanamide is sourced from PubChem (CID 61130531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).