4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide

C24H23F3N4O4S2 — CID 132570443

IUPAC4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNC2CC(c3ccc(C(F)(F)F)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23F3N4O4S2/c1-16-3-11-20(12-4-16)36(32,33)30-28-23-15-22(18-7-9-19(10-8-18)24(25,26)27)29-31(23)37(34,35)21-13-5-17(2)6-14-21/h3-14,23,28,30H,15H2,1-2H3
InChIKeyLGRPMRCMQFYUJN-UHFFFAOYSA-N
MW552.60 g/mol
LogP3.93
Rot. Bonds7

About 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide

4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide (PubChem CID 132570443) has the molecular formula C24H23F3N4O4S2 and a molecular weight of 552.60 g/mol. Its IUPAC name is 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide
PubChem CID132570443
Molecular FormulaC24H23F3N4O4S2
Molecular Weight552.60 g/mol
Exact Mass552.11
IUPAC Name4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNC2CC(c3ccc(C(F)(F)F)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23F3N4O4S2/c1-16-3-11-20(12-4-16)36(32,33)30-28-23-15-22(18-7-9-19(10-8-18)24(25,26)27)29-31(23)37(34,35)21-13-5-17(2)6-14-21/h3-14,23,28,30H,15H2,1-2H3
InChIKeyLGRPMRCMQFYUJN-UHFFFAOYSA-N
XLogP3.93
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[6-methyl-2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-pyridazin-3-yl]benzenesulfonohydrazide
CID 132520686
3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 102531502
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
CID 20705865
1-methyl-2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]diaziridine
CID 162400134
1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol
CID 101392963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide (CID 132570443) is 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNC2CC(c3ccc(C(F)(F)F)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide?
The InChIKey is LGRPMRCMQFYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4S2/c1-16-3-11-20(12-4-16)36(32,33)30-28-23-15-22(18-7-9-19(10-8-18)24(25,26)27)29-31(23)37(34,35)21-13-5-17(2)6-14-21/h3-14,23,28,30H,15H2,1-2H3.
What are the key properties of 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide?
4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide has a molecular weight of 552.60 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide is sourced from PubChem (CID 132570443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).