methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate

C10H11ClN2O7S — CID 103946902

IUPACmethyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O7S/c1-20-10(15)8(14)5-12-21(18,19)9-3-2-6(13(16)17)4-7(9)11/h2-4,8,12,14H,5H2,1H3
InChIKeyMGDZMNMWLNMDKY-UHFFFAOYSA-N
MW338.73 g/mol
LogP0.06
Rot. Bonds6

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

methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate (PubChem CID 103946902) has the molecular formula C10H11ClN2O7S and a molecular weight of 338.73 g/mol. Its IUPAC name is methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate
PubChem CID103946902
Molecular FormulaC10H11ClN2O7S
Molecular Weight338.73 g/mol
Exact Mass338.00
IUPAC Namemethyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O7S/c1-20-10(15)8(14)5-12-21(18,19)9-3-2-6(13(16)17)4-7(9)11/h2-4,8,12,14H,5H2,1H3
InChIKeyMGDZMNMWLNMDKY-UHFFFAOYSA-N
XLogP0.06
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.73
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936862
(2S)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 107835207
2-chloro-N-(2-cyanopropyl)-4-nitrobenzenesulfonamide
CID 62653496
methyl 3-[(2-chloro-4-nitrobenzoyl)amino]-2-hydroxypropanoate
CID 103879220
methyl 2-(2-chloro-4-nitrophenyl)sulfonylacetate
CID 23274961
N-(3-aminopropyl)-2-chloro-4-nitrobenzenesulfonamide;hydrochloride
CID 119962115
2-hydroxy-3-[(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid
CID 66166278
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
2-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitrobenzenesulfonamide
CID 115698751
N-[(1-aminocyclopropyl)methyl]-2-chloro-4-nitrobenzenesulfonamide
CID 171678631
(2S)-2-[(2-chloro-4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 28542226
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-nitrobenzenesulfonamide
CID 115455394

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate (CID 103946902) is methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate is COC(=O)C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate?
The InChIKey is MGDZMNMWLNMDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O7S/c1-20-10(15)8(14)5-12-21(18,19)9-3-2-6(13(16)17)4-7(9)11/h2-4,8,12,14H,5H2,1H3.
What are the key properties of methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate?
methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate has a molecular weight of 338.73 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103946902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).