5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole

C17H18N2O4S — CID 175047201

IUPAC5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C17H18N2O4S/c1-22-14-5-3-13(4-6-14)17-11-12-19(18-17)24(20,21)16-9-7-15(23-2)8-10-16/h3-10H,11-12H2,1-2H3
InChIKeyUKSGHNAMCJAAFP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.50
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole

5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole (PubChem CID 175047201) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole
PubChem CID175047201
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C17H18N2O4S/c1-22-14-5-3-13(4-6-14)17-11-12-19(18-17)24(20,21)16-9-7-15(23-2)8-10-16/h3-10H,11-12H2,1-2H3
InChIKeyUKSGHNAMCJAAFP-UHFFFAOYSA-N
XLogP2.50
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588648
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
3,5-bis(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,4-dihydropyrazole
CID 154637016
(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one
CID 174756924
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole (CID 175047201) is 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole is COc1ccc(C2=NN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole?
The InChIKey is UKSGHNAMCJAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-14-5-3-13(4-6-14)17-11-12-19(18-17)24(20,21)16-9-7-15(23-2)8-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole?
5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole has a molecular weight of 346.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 175047201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).