1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide

C16H15FN4O2S — CID 53075786

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C16H15FN4O2S/c1-11-16(24(22,23)20-14-4-3-9-18-10-14)12(2)21(19-11)15-7-5-13(17)6-8-15/h3-10,20H,1-2H3
InChIKeyGCUHDNRACIVRGB-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide

1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide (PubChem CID 53075786) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
PubChem CID53075786
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C16H15FN4O2S/c1-11-16(24(22,23)20-14-4-3-9-18-10-14)12(2)21(19-11)15-7-5-13(17)6-8-15/h3-10,20H,1-2H3
InChIKeyGCUHDNRACIVRGB-UHFFFAOYSA-N
XLogP2.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
US9156811, Ddd86301
CID 57397063
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
US9156811, Ddd71294
CID 57391848
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide (CID 53075786) is 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide is Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The InChIKey is GCUHDNRACIVRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-11-16(24(22,23)20-14-4-3-9-18-10-14)12(2)21(19-11)15-7-5-13(17)6-8-15/h3-10,20H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide has a molecular weight of 346.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 53075786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).