5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole

C24H24N2O4S — CID 53453555

IUPAC5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole
SMILESCOc1ccc(C2=CC(c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)N2)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-17-9-12-20(13-10-17)31(27,28)26-22(18-7-5-4-6-8-18)16-21(25-26)19-11-14-23(29-2)24(15-19)30-3/h4-16,22,25H,1-3H3
InChIKeyZSTVDAGRPGHNPO-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.30
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole

5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole (PubChem CID 53453555) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole
PubChem CID53453555
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole
SMILESCOc1ccc(C2=CC(c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)N2)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-17-9-12-20(13-10-17)31(27,28)26-22(18-7-5-4-6-8-18)16-21(25-26)19-11-14-23(29-2)24(15-19)30-3/h4-16,22,25H,1-3H3
InChIKeyZSTVDAGRPGHNPO-UHFFFAOYSA-N
XLogP4.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
CID 134946152
3,6-bis(3,4-dimethoxyphenyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,2,4,5-tetrazine
CID 102109813
(4R)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 132567914
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246
(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
CID 102385769
9-(benzenesulfonyl)-1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-1H-pyrido[3,4-b]indole
CID 10077310
1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone
CID 2147031
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3313964
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
2-iodo-4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 141137039
1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole (CID 53453555) is 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole is COc1ccc(C2=CC(c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)N2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole?
The InChIKey is ZSTVDAGRPGHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-9-12-20(13-10-17)31(27,28)26-22(18-7-5-4-6-8-18)16-21(25-26)19-11-14-23(29-2)24(15-19)30-3/h4-16,22,25H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole?
5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole has a molecular weight of 436.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole is sourced from PubChem (CID 53453555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).