methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate

C13H15N3O4S — CID 62116326

IUPACmethyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C13H15N3O4S/c1-16-9-11(8-14-16)21(18,19)15-12(13(17)20-2)10-6-4-3-5-7-10/h3-9,12,15H,1-2H3
InChIKeyCHBNZJSAEXERGQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate

methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate (PubChem CID 62116326) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
PubChem CID62116326
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Namemethyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C13H15N3O4S/c1-16-9-11(8-14-16)21(18,19)15-12(13(17)20-2)10-6-4-3-5-7-10/h3-9,12,15H,1-2H3
InChIKeyCHBNZJSAEXERGQ-UHFFFAOYSA-N
XLogP0.61
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
CID 62108797
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
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methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310
methyl (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242314
methyl (2S)-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-2-phenylacetate
CID 102431537
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
methyl (2R)-2-[[4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)phenyl]sulfonylamino]-2-phenylacetate
CID 42556613
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
4-bromo-3-methoxy-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,2-thiazole-5-carboxamide
CID 167979449

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate (CID 62116326) is methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate is COC(=O)C(NS(=O)(=O)c1cnn(C)c1)c1ccccc1.
What is the InChIKey of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
The InChIKey is CHBNZJSAEXERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-16-9-11(8-14-16)21(18,19)15-12(13(17)20-2)10-6-4-3-5-7-10/h3-9,12,15H,1-2H3.
What are the key properties of methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate has a molecular weight of 309.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 62116326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).