methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate

C11H14ClNO5S — CID 103878708

IUPACmethyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO5S/c1-7-3-4-8(12)5-10(7)19(16,17)13-6-9(14)11(15)18-2/h3-5,9,13-14H,6H2,1-2H3
InChIKeyKUDKXXWBUTUCRZ-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.46
Rot. Bonds5

About methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate

methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate (PubChem CID 103878708) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
PubChem CID103878708
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Namemethyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO5S/c1-7-3-4-8(12)5-10(7)19(16,17)13-6-9(14)11(15)18-2/h3-5,9,13-14H,6H2,1-2H3
InChIKeyKUDKXXWBUTUCRZ-UHFFFAOYSA-N
XLogP0.46
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 79027133
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate
CID 103946902

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate (CID 103878708) is methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate is COC(=O)C(O)CNS(=O)(=O)c1cc(Cl)ccc1C.
What is the InChIKey of methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
The InChIKey is KUDKXXWBUTUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-7-3-4-8(12)5-10(7)19(16,17)13-6-9(14)11(15)18-2/h3-5,9,13-14H,6H2,1-2H3.
What are the key properties of methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate has a molecular weight of 307.76 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103878708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).