2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

C20H15F2N3O2S2 — CID 67173824

IUPAC2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C20H15F2N3O2S2/c1-13-6-2-3-9-17(13)25-19(12-16(23-25)18-10-5-11-28-18)24-29(26,27)20-14(21)7-4-8-15(20)22/h2-12,24H,1H3
InChIKeyUXFDWISMZICLQK-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.99
Rot. Bonds5

About 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (PubChem CID 67173824) has the molecular formula C20H15F2N3O2S2 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
PubChem CID67173824
Molecular FormulaC20H15F2N3O2S2
Molecular Weight431.49 g/mol
Exact Mass431.06
IUPAC Name2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C20H15F2N3O2S2/c1-13-6-2-3-9-17(13)25-19(12-16(23-25)18-10-5-11-28-18)24-29(26,27)20-14(21)7-4-8-15(20)22/h2-12,24H,1H3
InChIKeyUXFDWISMZICLQK-UHFFFAOYSA-N
XLogP4.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.99
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
5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 59632565
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'-(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-[3-(trifluoromethyl)phenyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzenesulfonamide
CID 172444338
4-tert-butyl-N-[2-[4-(trifluoromethyl)phenyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzenesulfonamide
CID 172460520
3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 2742764
methyl N-[(E)-benzylideneamino]-N'-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamimidothioate
CID 9583137

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (CID 67173824) is 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is Cc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is UXFDWISMZICLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S2/c1-13-6-2-3-9-17(13)25-19(12-16(23-25)18-10-5-11-28-18)24-29(26,27)20-14(21)7-4-8-15(20)22/h2-12,24H,1H3.
What are the key properties of 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 431.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).