ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate

C15H18ClN3O4S — CID 74228946

IUPACethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C15H18ClN3O4S/c1-4-23-15(20)12(11-8-6-5-7-9-11)18-24(21,22)13-10(2)17-19(3)14(13)16/h5-9,12,18H,4H2,1-3H3/t12-/m1/s1
InChIKeyIOOOVWHLMAGTCW-GFCCVEGCSA-N
MW371.85 g/mol
LogP1.96
Rot. Bonds6

About ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate

ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate (PubChem CID 74228946) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
PubChem CID74228946
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Nameethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C15H18ClN3O4S/c1-4-23-15(20)12(11-8-6-5-7-9-11)18-24(21,22)13-10(2)17-19(3)14(13)16/h5-9,12,18H,4H2,1-3H3/t12-/m1/s1
InChIKeyIOOOVWHLMAGTCW-GFCCVEGCSA-N
XLogP1.96
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate (CID 74228946) is ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate is CCOC(=O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
The InChIKey is IOOOVWHLMAGTCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-4-23-15(20)12(11-8-6-5-7-9-11)18-24(21,22)13-10(2)17-19(3)14(13)16/h5-9,12,18H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate?
ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate has a molecular weight of 371.85 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 74228946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).