2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate

C19H18N3O5S- — CID 6960528

IUPAC2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate
SMILESCc1c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H19N3O5S/c1-14-18(19(25)22(20(14)2)15-9-5-3-6-10-15)21(13-17(23)24)28(26,27)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,23,24)/p-1
InChIKeyOPKBTAKPMSRHLF-UHFFFAOYSA-M
MW400.44 g/mol
LogP0.43
Rot. Bonds6

About 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate

2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate (PubChem CID 6960528) has the molecular formula C19H18N3O5S- and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate.

Molecular Properties

Compound Name2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate
PubChem CID6960528
Molecular FormulaC19H18N3O5S-
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate
SMILESCc1c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H19N3O5S/c1-14-18(19(25)22(20(14)2)15-9-5-3-6-10-15)21(13-17(23)24)28(26,27)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,23,24)/p-1
InChIKeyOPKBTAKPMSRHLF-UHFFFAOYSA-M
XLogP0.43
TPSA104.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-4-methylbenzenesulfonamide
CID 23931661
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 31883809
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 1127294
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfonylamino]acetate
CID 9172927
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880279
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 98087091
N-tert-butyl-2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 2080635
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 2089380
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 126181615
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 78785930
2-chloro-N-[2-[[2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoyl]amino]phenyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 4658785
methyl 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfonylamino]methyl]benzoate
CID 17200503

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate?
The IUPAC name of 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate (CID 6960528) is 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate.
What is the SMILES notation for 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate?
The canonical SMILES for 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate is Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate?
The InChIKey is OPKBTAKPMSRHLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19N3O5S/c1-14-18(19(25)22(20(14)2)15-9-5-3-6-10-15)21(13-17(23)24)28(26,27)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,23,24)/p-1.
What are the key properties of 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate?
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate has a molecular weight of 400.44 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate is sourced from PubChem (CID 6960528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).