3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide

C13H14FN3O3S — CID 39992334

IUPAC3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O3S/c1-17-8-6-12(16-17)15-13(18)7-9-21(19,20)11-4-2-10(14)3-5-11/h2-6,8H,7,9H2,1H3,(H,15,16,18)
InChIKeyIPKLDJLIVWUBBW-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.36
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide

3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 39992334) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID39992334
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O3S/c1-17-8-6-12(16-17)15-13(18)7-9-21(19,20)11-4-2-10(14)3-5-11/h2-6,8H,7,9H2,1H3,(H,15,16,18)
InChIKeyIPKLDJLIVWUBBW-UHFFFAOYSA-N
XLogP1.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide (CID 39992334) is 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is IPKLDJLIVWUBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-17-8-6-12(16-17)15-13(18)7-9-21(19,20)11-4-2-10(14)3-5-11/h2-6,8H,7,9H2,1H3,(H,15,16,18).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide?
3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 311.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 39992334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).