2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C19H19N3O4S — CID 2222390

IUPAC2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H19N3O4S/c1-14-18(19(24)22(21(14)2)15-9-5-3-6-10-15)20-17(23)13-27(25,26)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyJTNZDKJJRXROFD-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.90
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 2222390) has the molecular formula C19H19N3O4S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID2222390
Molecular FormulaC19H19N3O4S
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H19N3O4S/c1-14-18(19(24)22(21(14)2)15-9-5-3-6-10-15)20-17(23)13-27(25,26)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyJTNZDKJJRXROFD-UHFFFAOYSA-N
XLogP1.90
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acedapsone
CID 6477
4-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CID 1032881
4-(benzenesulfonyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2337473
N-[4-(acetylsulfamoyl)phenyl]-2-(phenylsulfanyl)acetamide
CID 1321236
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[4-(methylthio)phenyl]urea
CID 285404
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethanesulfonamide
CID 692885
N,N'-[(2-oxopropane-1,3-diyl)bis(sulfonylbenzene-4,1-diyl)]diacetamide
CID 330272
4-[({4-[(Dimethylamino)diazenyl]phenyl}sulfonyl)amino]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
CID 1127268
2-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1143134
3-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
CID 1208654
N,N'-(sulfonyldi-4,1-phenylene)dipropanamide
CID 1300615
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-methylbenzyl)sulfanyl]acetamide
CID 2279922

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 2222390) is 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is JTNZDKJJRXROFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-14-18(19(24)22(21(14)2)15-9-5-3-6-10-15)20-17(23)13-27(25,26)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 385.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2222390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).