5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

C20H16N2O3S — CID 135066238

IUPAC5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2-c2ccco2)cc1
InChIInChI=1S/C20H16N2O3S/c1-15-9-11-17(12-10-15)26(23,24)22-19(20-8-5-13-25-20)14-18(21-22)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyKBFWUXQMFDFELE-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.36
Rot. Bonds4

About 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (PubChem CID 135066238) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
PubChem CID135066238
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2-c2ccco2)cc1
InChIInChI=1S/C20H16N2O3S/c1-15-9-11-17(12-10-15)26(23,24)22-19(20-8-5-13-25-20)14-18(21-22)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyKBFWUXQMFDFELE-UHFFFAOYSA-N
XLogP4.36
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
CID 164616544
5-[5-(2,4-Difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
CID 2805865
[5-[1-(Benzenesulfonyl)indazol-3-yl]furan-2-yl]methanol
CID 57390107
5-[5-(2,4-Difluorophenyl)furan-2-yl]-1-methylsulfonylpyrazole
CID 2805870
N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71797351
5-(3,4-Dimethyl-1H-pyrazol-5-YL)-N-[(5-methylfuran-2-YL)methyl]furan-2-sulfonamide
CID 53075755
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
CID 53075747
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide
CID 53075753
2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-N-phenylfuran-3-sulfonamide
CID 53163502
N-[(2S)-butan-2-yl]-5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 92889830
5-[5-(2,4-Difluorophenyl)furan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrazole
CID 5081150

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The IUPAC name of 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (CID 135066238) is 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The canonical SMILES for 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2-c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The InChIKey is KBFWUXQMFDFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-15-9-11-17(12-10-15)26(23,24)22-19(20-8-5-13-25-20)14-18(21-22)16-6-3-2-4-7-16/h2-14H,1H3.
What are the key properties of 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole has a molecular weight of 364.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is sourced from PubChem (CID 135066238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).