N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C19H13F2N3O2S2 — CID 42352230

IUPACN-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H13F2N3O2S2/c20-13-8-9-16(15(21)11-13)23-28(25,26)18-12-24(14-5-2-1-3-6-14)22-19(18)17-7-4-10-27-17/h1-12,23H
InChIKeyYYFNBRWHEZNHDP-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.68
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42352230) has the molecular formula C19H13F2N3O2S2 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42352230
Molecular FormulaC19H13F2N3O2S2
Molecular Weight417.46 g/mol
Exact Mass417.04
IUPAC NameN-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H13F2N3O2S2/c20-13-8-9-16(15(21)11-13)23-28(25,26)18-12-24(14-5-2-1-3-6-14)22-19(18)17-7-4-10-27-17/h1-12,23H
InChIKeyYYFNBRWHEZNHDP-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42352236
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
3-tert-butyl-N-(2,4-difluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 42344915
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285510
N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4812792
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 42352164
1-benzyl-N-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285422
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285432
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42352230) is N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is YYFNBRWHEZNHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S2/c20-13-8-9-16(15(21)11-13)23-28(25,26)18-12-24(14-5-2-1-3-6-14)22-19(18)17-7-4-10-27-17/h1-12,23H.
What are the key properties of N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 417.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42352230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).