N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide

C13H14FN3O3S — CID 142775079

IUPACN-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C)c(F)c1
InChIInChI=1S/C13H14FN3O3S/c1-3-13(18)16-21(19,20)9-4-5-10(11(14)8-9)12-6-7-15-17(12)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyQHXSUHKQUZKJTP-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.44
Rot. Bonds4

About N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide

N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide (PubChem CID 142775079) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide
PubChem CID142775079
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C)c(F)c1
InChIInChI=1S/C13H14FN3O3S/c1-3-13(18)16-21(19,20)9-4-5-10(11(14)8-9)12-6-7-15-17(12)2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyQHXSUHKQUZKJTP-UHFFFAOYSA-N
XLogP1.44
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide (CID 142775079) is N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide?
The InChIKey is QHXSUHKQUZKJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-3-13(18)16-21(19,20)9-4-5-10(11(14)8-9)12-6-7-15-17(12)2/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide?
N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide has a molecular weight of 311.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 142775079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).