2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C25H23ClN4O3S — CID 17453741

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H23ClN4O3S/c1-29(2)34(32,33)23-10-6-7-21(16-23)27-24(31)15-19-17-30(22-8-4-3-5-9-22)28-25(19)18-11-13-20(26)14-12-18/h3-14,16-17H,15H2,1-2H3,(H,27,31)
InChIKeyNLQWUJHGUFPJIU-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.62
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 17453741) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID17453741
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H23ClN4O3S/c1-29(2)34(32,33)23-10-6-7-21(16-23)27-24(31)15-19-17-30(22-8-4-3-5-9-22)28-25(19)18-11-13-20(26)14-12-18/h3-14,16-17H,15H2,1-2H3,(H,27,31)
InChIKeyNLQWUJHGUFPJIU-UHFFFAOYSA-N
XLogP4.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2471485
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 16386803
3-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 57411993
2-[3-[4-[2-(3-chlorophenyl)ethynyl]phenyl]-1-phenylpyrazol-4-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 71451785
2-[3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-1-phenylpyrazol-4-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 71455333
N-(4-chlorophenyl)sulfonyl-2-[1-phenyl-3-[4-(2-phenylethynyl)phenyl]pyrazol-4-yl]acetamide
CID 71460772
4-[3-(4-Chlorophenyl)-4-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
CID 76329098
1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725461
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 155528441
3-[1,3-bis(4-chlorophenyl)pyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164620497
4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
CID 147117461
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2123428

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 17453741) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is NLQWUJHGUFPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c1-29(2)34(32,33)23-10-6-7-21(16-23)27-24(31)15-19-17-30(22-8-4-3-5-9-22)28-25(19)18-11-13-20(26)14-12-18/h3-14,16-17H,15H2,1-2H3,(H,27,31).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 495.00 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17453741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).