methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate

C8H10ClN3O5S — CID 61051901

IUPACmethyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H10ClN3O5S/c1-17-7(14)6(4-13)12-18(15,16)5-2-10-8(9)11-3-5/h2-3,6,12-13H,4H2,1H3
InChIKeyGRMMFSXZBROHFB-UHFFFAOYSA-N
MW295.70 g/mol
LogP-1.06
Rot. Bonds5

About methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 61051901) has the molecular formula C8H10ClN3O5S and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
PubChem CID61051901
Molecular FormulaC8H10ClN3O5S
Molecular Weight295.70 g/mol
Exact Mass295.00
IUPAC Namemethyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H10ClN3O5S/c1-17-7(14)6(4-13)12-18(15,16)5-2-10-8(9)11-3-5/h2-3,6,12-13H,4H2,1H3
InChIKeyGRMMFSXZBROHFB-UHFFFAOYSA-N
XLogP-1.06
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
CID 43624280
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
CID 107862764
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
CID 62065532
methyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 60639366
2-[(2-chloropyrimidin-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108336
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
methyl 3-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 43624281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate (CID 61051901) is methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate is COC(=O)C(CO)NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is GRMMFSXZBROHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O5S/c1-17-7(14)6(4-13)12-18(15,16)5-2-10-8(9)11-3-5/h2-3,6,12-13H,4H2,1H3.
What are the key properties of methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 295.70 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 61051901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).