N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

C13H16FN3O2S — CID 71688417

IUPACN-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-7-11-3-5-12(14)6-4-11/h3-6,8-10,16H,7H2,1-2H3
InChIKeyWIEKZHDAPWNZES-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.08
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688417) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688417
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-7-11-3-5-12(14)6-4-11/h3-6,8-10,16H,7H2,1-2H3
InChIKeyWIEKZHDAPWNZES-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688417) is N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is WIEKZHDAPWNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-7-11-3-5-12(14)6-4-11/h3-6,8-10,16H,7H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).