N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide

C21H16FN3O2S — CID 42349444

IUPACN-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16FN3O2S/c22-18-13-7-8-14-19(18)24-28(26,27)20-15-25(17-11-5-2-6-12-17)23-21(20)16-9-3-1-4-10-16/h1-15,24H
InChIKeyLDMMQNDOSZSVJF-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.48
Rot. Bonds5

About N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide

N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide (PubChem CID 42349444) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
PubChem CID42349444
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16FN3O2S/c22-18-13-7-8-14-19(18)24-28(26,27)20-15-25(17-11-5-2-6-12-17)23-21(20)16-9-3-1-4-10-16/h1-15,24H
InChIKeyLDMMQNDOSZSVJF-UHFFFAOYSA-N
XLogP4.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352230
N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
3-tert-butyl-N-(2,4-difluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 42344915
3-tert-butyl-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42285151
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
CID 42349187
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide (CID 42349444) is N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide is O=S(=O)(Nc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide?
The InChIKey is LDMMQNDOSZSVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-18-13-7-8-14-19(18)24-28(26,27)20-15-25(17-11-5-2-6-12-17)23-21(20)16-9-3-1-4-10-16/h1-15,24H.
What are the key properties of N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide?
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide has a molecular weight of 393.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).