N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

C45H40N6O7S2 — CID 10629350

IUPACN-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(C7=NNC(c8ccc(OC)cc8)C7)cc6)c5)c4)cc3)=NN2)cc1
InChIInChI=1S/C45H40N6O7S2/c1-57-37-21-13-31(14-22-37)43-27-41(46-48-43)29-9-17-35(18-10-29)50-59(53,54)39-7-3-5-33(25-39)45(52)34-6-4-8-40(26-34)60(55,56)51-36-19-11-30(12-20-36)42-28-44(49-47-42)32-15-23-38(58-2)24-16-32/h3-26,43-44,48-51H,27-28H2,1-2H3
InChIKeyGPZGPFHOUQZMPM-UHFFFAOYSA-N
MW840.98 g/mol
LogP7.41
Rot. Bonds14

About N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (PubChem CID 10629350) has the molecular formula C45H40N6O7S2 and a molecular weight of 840.98 g/mol. Its IUPAC name is N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
PubChem CID10629350
Molecular FormulaC45H40N6O7S2
Molecular Weight840.98 g/mol
Exact Mass840.24
IUPAC NameN-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(C7=NNC(c8ccc(OC)cc8)C7)cc6)c5)c4)cc3)=NN2)cc1
InChIInChI=1S/C45H40N6O7S2/c1-57-37-21-13-31(14-22-37)43-27-41(46-48-43)29-9-17-35(18-10-29)50-59(53,54)39-7-3-5-33(25-39)45(52)34-6-4-8-40(26-34)60(55,56)51-36-19-11-30(12-20-36)42-28-44(49-47-42)32-15-23-38(58-2)24-16-32/h3-26,43-44,48-51H,27-28H2,1-2H3
InChIKeyGPZGPFHOUQZMPM-UHFFFAOYSA-N
XLogP7.41
TPSA176.65 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.98
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10795497
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10551163
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The IUPAC name of N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (CID 10629350) is N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The canonical SMILES for N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is COc1ccc(C2CC(c3ccc(NS(=O)(=O)c4cccc(C(=O)c5cccc(S(=O)(=O)Nc6ccc(C7=NNC(c8ccc(OC)cc8)C7)cc6)c5)c4)cc3)=NN2)cc1.
What is the InChIKey of N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The InChIKey is GPZGPFHOUQZMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N6O7S2/c1-57-37-21-13-31(14-22-37)43-27-41(46-48-43)29-9-17-35(18-10-29)50-59(53,54)39-7-3-5-33(25-39)45(52)34-6-4-8-40(26-34)60(55,56)51-36-19-11-30(12-20-36)42-28-44(49-47-42)32-15-23-38(58-2)24-16-32/h3-26,43-44,48-51H,27-28H2,1-2H3.
What are the key properties of N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide has a molecular weight of 840.98 g/mol, XLogP of 7.41, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is sourced from PubChem (CID 10629350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).