4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

C20H16FN3O2S2 — CID 67173559

IUPAC4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2S2/c1-14-5-2-3-6-18(14)24-20(13-17(22-24)19-7-4-12-27-19)23-28(25,26)16-10-8-15(21)9-11-16/h2-13,23H,1H3
InChIKeyZXVWRFVIMWHVHK-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.85
Rot. Bonds5

About 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (PubChem CID 67173559) has the molecular formula C20H16FN3O2S2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
PubChem CID67173559
Molecular FormulaC20H16FN3O2S2
Molecular Weight413.50 g/mol
Exact Mass413.07
IUPAC Name4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2S2/c1-14-5-2-3-6-18(14)24-20(13-17(22-24)19-7-4-12-27-19)23-28(25,26)16-10-8-15(21)9-11-16/h2-13,23H,1H3
InChIKeyZXVWRFVIMWHVHK-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Fluoro-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]benzenesulfonamide
CID 2742752
N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2742759
1-[4-(4-ethylbenzenesulfonyl)phenyl]-3-methyl-1H-pyrazol-5-amine
CID 2411008
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-fluoro-benzenesulfonamide
CID 44312955
N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 26743408
4-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 778683
N'-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 6388989
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
3-methyl-1-[4-(4-methylbenzenesulfonyl)phenyl]-1H-pyrazol-5-amine
CID 2410974
4-tert-butyl-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzenesulfonamide
CID 172441814
4-tert-butyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzenesulfonamide
CID 172443206

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (CID 67173559) is 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is Cc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is ZXVWRFVIMWHVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S2/c1-14-5-2-3-6-18(14)24-20(13-17(22-24)19-7-4-12-27-19)23-28(25,26)16-10-8-15(21)9-11-16/h2-13,23H,1H3.
What are the key properties of 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67173559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).