methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate

C10H12ClFN2O4S — CID 61496306

IUPACmethyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O4S/c1-5(10(15)18-2)14-19(16,17)9-4-8(13)7(12)3-6(9)11/h3-5,14H,13H2,1-2H3
InChIKeyWPWLMJWLKBUHBI-UHFFFAOYSA-N
MW310.73 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate

methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 61496306) has the molecular formula C10H12ClFN2O4S and a molecular weight of 310.73 g/mol. Its IUPAC name is methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate
PubChem CID61496306
Molecular FormulaC10H12ClFN2O4S
Molecular Weight310.73 g/mol
Exact Mass310.02
IUPAC Namemethyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O4S/c1-5(10(15)18-2)14-19(16,17)9-4-8(13)7(12)3-6(9)11/h3-5,14H,13H2,1-2H3
InChIKeyWPWLMJWLKBUHBI-UHFFFAOYSA-N
XLogP0.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 61112475
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 103077410
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
methyl 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonylamino]propanoate
CID 80646487
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 61476091
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate (CID 61496306) is methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is WPWLMJWLKBUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O4S/c1-5(10(15)18-2)14-19(16,17)9-4-8(13)7(12)3-6(9)11/h3-5,14H,13H2,1-2H3.
What are the key properties of methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate?
methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 310.73 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 61496306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).