methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate

C10H10BrF2NO4S — CID 60639552

IUPACmethyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO4S/c1-18-9(15)2-3-14-19(16,17)10-7(11)4-6(12)5-8(10)13/h4-5,14H,2-3H2,1H3
InChIKeyUBAQFJLKEQECIM-UHFFFAOYSA-N
MW358.16 g/mol
LogP1.57
Rot. Bonds5

About methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate

methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate (PubChem CID 60639552) has the molecular formula C10H10BrF2NO4S and a molecular weight of 358.16 g/mol. Its IUPAC name is methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
PubChem CID60639552
Molecular FormulaC10H10BrF2NO4S
Molecular Weight358.16 g/mol
Exact Mass356.95
IUPAC Namemethyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO4S/c1-18-9(15)2-3-14-19(16,17)10-7(11)4-6(12)5-8(10)13/h4-5,14H,2-3H2,1H3
InChIKeyUBAQFJLKEQECIM-UHFFFAOYSA-N
XLogP1.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83040032
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate (CID 60639552) is methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is UBAQFJLKEQECIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO4S/c1-18-9(15)2-3-14-19(16,17)10-7(11)4-6(12)5-8(10)13/h4-5,14H,2-3H2,1H3.
What are the key properties of methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 358.16 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 60639552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).