N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide

C24H22N4O3S — CID 22315374

IUPACN-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C24H22N4O3S/c1-18(29)27(17-19-8-4-2-5-9-19)24-16-23(20-10-6-3-7-11-20)28(26-24)21-12-14-22(15-13-21)32(25,30)31/h2-16H,17H2,1H3,(H2,25,30,31)
InChIKeyLEHZOYIOGOYULO-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.74
Rot. Bonds6

About N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide

N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide (PubChem CID 22315374) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
PubChem CID22315374
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C24H22N4O3S/c1-18(29)27(17-19-8-4-2-5-9-19)24-16-23(20-10-6-3-7-11-20)28(26-24)21-12-14-22(15-13-21)32(25,30)31/h2-16H,17H2,1H3,(H2,25,30,31)
InChIKeyLEHZOYIOGOYULO-UHFFFAOYSA-N
XLogP3.74
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide (CID 22315374) is N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide is CC(=O)N(Cc1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is LEHZOYIOGOYULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-18(29)27(17-19-8-4-2-5-9-19)24-16-23(20-10-6-3-7-11-20)28(26-24)21-12-14-22(15-13-21)32(25,30)31/h2-16H,17H2,1H3,(H2,25,30,31).
What are the key properties of N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 446.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 22315374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).