4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C24H24N4O3S — CID 55787559

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C24H24N4O3S/c1-17-3-13-23(14-4-17)32(30,31)27-21-9-7-20(8-10-21)25-24(29)19-5-11-22(12-6-19)28-16-15-18(2)26-28/h3-14,27H,15-16H2,1-2H3,(H,25,29)
InChIKeyYZSNRWFYGOQIIE-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.63
Rot. Bonds6

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 55787559) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID55787559
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)CC1
InChIInChI=1S/C24H24N4O3S/c1-17-3-13-23(14-4-17)32(30,31)27-21-9-7-20(8-10-21)25-24(29)19-5-11-22(12-6-19)28-16-15-18(2)26-28/h3-14,27H,15-16H2,1-2H3,(H,25,29)
InChIKeyYZSNRWFYGOQIIE-UHFFFAOYSA-N
XLogP4.63
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 46487660

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 55787559) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is CC1=NN(c2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is YZSNRWFYGOQIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-17-3-13-23(14-4-17)32(30,31)27-21-9-7-20(8-10-21)25-24(29)19-5-11-22(12-6-19)28-16-15-18(2)26-28/h3-14,27H,15-16H2,1-2H3,(H,25,29).
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 448.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 55787559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).