methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate

C12H17NO5S — CID 3822366

IUPACmethyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate
SMILESCCc1ccc(S(=O)(=O)NC(CO)C(=O)OC)cc1
InChIInChI=1S/C12H17NO5S/c1-3-9-4-6-10(7-5-9)19(16,17)13-11(8-14)12(15)18-2/h4-7,11,13-14H,3,8H2,1-2H3
InChIKeyPVIWFAQVAWONNN-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.06
Rot. Bonds6

About methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 3822366) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate
PubChem CID3822366
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate
SMILESCCc1ccc(S(=O)(=O)NC(CO)C(=O)OC)cc1
InChIInChI=1S/C12H17NO5S/c1-3-9-4-6-10(7-5-9)19(16,17)13-11(8-14)12(15)18-2/h4-7,11,13-14H,3,8H2,1-2H3
InChIKeyPVIWFAQVAWONNN-UHFFFAOYSA-N
XLogP0.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate (CID 3822366) is methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate is CCc1ccc(S(=O)(=O)NC(CO)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is PVIWFAQVAWONNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-3-9-4-6-10(7-5-9)19(16,17)13-11(8-14)12(15)18-2/h4-7,11,13-14H,3,8H2,1-2H3.
What are the key properties of methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 287.34 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylphenyl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 3822366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).