N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide

C13H16FN3O2S — CID 99842447

IUPACN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccnn1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S/c1-2-9-20(18,19)16-13-7-8-15-17(13)10-11-3-5-12(14)6-4-11/h3-8,16H,2,9-10H2,1H3
InChIKeyVICUBLIYBQTLKA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide

N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide (PubChem CID 99842447) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide
PubChem CID99842447
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccnn1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S/c1-2-9-20(18,19)16-13-7-8-15-17(13)10-11-3-5-12(14)6-4-11/h3-8,16H,2,9-10H2,1H3
InChIKeyVICUBLIYBQTLKA-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide (CID 99842447) is N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccnn1Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
The InChIKey is VICUBLIYBQTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-2-9-20(18,19)16-13-7-8-15-17(13)10-11-3-5-12(14)6-4-11/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 99842447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).