methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate

C12H13N3O4S — CID 102692927

IUPACmethyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O4S/c1-19-12(16)11(9-5-3-2-4-6-9)15-20(17,18)10-7-8-13-14-10/h2-8,11,15H,1H3,(H,13,14)
InChIKeyRZRYULVDTMNTLW-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.60
Rot. Bonds5

About methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate

methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate (PubChem CID 102692927) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
PubChem CID102692927
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O4S/c1-19-12(16)11(9-5-3-2-4-6-9)15-20(17,18)10-7-8-13-14-10/h2-8,11,15H,1H3,(H,13,14)
InChIKeyRZRYULVDTMNTLW-UHFFFAOYSA-N
XLogP0.60
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690630
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
methyl (2S)-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-2-phenylacetate
CID 102431537
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690640
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
(2S)-5-methoxy-5-oxo-2-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 114005092
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate (CID 102692927) is methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate is COC(=O)C(NS(=O)(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate?
The InChIKey is RZRYULVDTMNTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-19-12(16)11(9-5-3-2-4-6-9)15-20(17,18)10-7-8-13-14-10/h2-8,11,15H,1H3,(H,13,14).
What are the key properties of methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate?
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate has a molecular weight of 295.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate is sourced from PubChem (CID 102692927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).