N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide

C24H20Cl2N4O3S — CID 139817998

IUPACN-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C24H20Cl2N4O3S/c1-29(21-4-2-3-18(26)13-21)24(31)15-19-14-23(16-5-7-17(25)8-6-16)30(28-19)20-9-11-22(12-10-20)34(27,32)33/h2-14H,15H2,1H3,(H2,27,32,33)
InChIKeyCHPUVVNFOVAHQG-UHFFFAOYSA-N
MW515.42 g/mol
LogP4.70
Rot. Bonds6

About N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide

N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide (PubChem CID 139817998) has the molecular formula C24H20Cl2N4O3S and a molecular weight of 515.42 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide
PubChem CID139817998
Molecular FormulaC24H20Cl2N4O3S
Molecular Weight515.42 g/mol
Exact Mass514.06
IUPAC NameN-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C24H20Cl2N4O3S/c1-29(21-4-2-3-18(26)13-21)24(31)15-19-14-23(16-5-7-17(25)8-6-16)30(28-19)20-9-11-22(12-10-20)34(27,32)33/h2-14H,15H2,1H3,(H2,27,32,33)
InChIKeyCHPUVVNFOVAHQG-UHFFFAOYSA-N
XLogP4.70
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methanesulfinic acid
CID 137462338
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanamide
CID 67663106
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569
1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
CID 22315588
1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
CID 87973346
4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
CID 142913120

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide (CID 139817998) is N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide is CN(C(=O)Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide?
The InChIKey is CHPUVVNFOVAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3S/c1-29(21-4-2-3-18(26)13-21)24(31)15-19-14-23(16-5-7-17(25)8-6-16)30(28-19)20-9-11-22(12-10-20)34(27,32)33/h2-14H,15H2,1H3,(H2,27,32,33).
What are the key properties of N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide?
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide has a molecular weight of 515.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 139817998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).