methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate

C9H10ClFN2O4S — CID 103493492

IUPACmethyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cl)CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H10ClFN2O4S/c1-17-9(14)8(10)5-13-18(15,16)7-2-6(11)3-12-4-7/h2-4,8,13H,5H2,1H3
InChIKeyRJOBCKBHQSFIBS-UHFFFAOYSA-N
MW296.71 g/mol
LogP0.28
Rot. Bonds5

About methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate

methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate (PubChem CID 103493492) has the molecular formula C9H10ClFN2O4S and a molecular weight of 296.71 g/mol. Its IUPAC name is methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
PubChem CID103493492
Molecular FormulaC9H10ClFN2O4S
Molecular Weight296.71 g/mol
Exact Mass296.00
IUPAC Namemethyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cl)CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H10ClFN2O4S/c1-17-9(14)8(10)5-13-18(15,16)7-2-6(11)3-12-4-7/h2-4,8,13H,5H2,1H3
InChIKeyRJOBCKBHQSFIBS-UHFFFAOYSA-N
XLogP0.28
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 103493543
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
methyl 2-chloro-3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 103493569
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 106185548
2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
CID 138041125
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312114
methyl 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate (CID 103493492) is methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate is COC(=O)C(Cl)CNS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate?
The InChIKey is RJOBCKBHQSFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O4S/c1-17-9(14)8(10)5-13-18(15,16)7-2-6(11)3-12-4-7/h2-4,8,13H,5H2,1H3.
What are the key properties of methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate?
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate has a molecular weight of 296.71 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate is sourced from PubChem (CID 103493492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).