methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate

C11H13F2NO4S — CID 61460236

IUPACmethyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c1-18-10(15)6-3-7-19(16,17)14-11-8(12)4-2-5-9(11)13/h2,4-5,14H,3,6-7H2,1H3
InChIKeyLZFATAQLHFAIBG-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.66
Rot. Bonds6

About methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate

methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate (PubChem CID 61460236) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
PubChem CID61460236
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Namemethyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c1-18-10(15)6-3-7-19(16,17)14-11-8(12)4-2-5-9(11)13/h2,4-5,14H,3,6-7H2,1H3
InChIKeyLZFATAQLHFAIBG-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 61457587
methyl 4-[(2-hydroxy-6-methoxyphenyl)sulfamoyl]butanoate
CID 114764729
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
methyl 4-[(2-fluoro-5-methylphenyl)sulfamoyl]butanoate
CID 61460150
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
methyl 4-[[3-(trifluoromethyl)phenyl]sulfamoyl]butanoate
CID 61460357
methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643110
methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
methyl 4-[(4-bromo-2,6-dichlorophenyl)sulfamoyl]butanoate
CID 61460321

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate (CID 61460236) is methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1c(F)cccc1F.
What is the InChIKey of methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate?
The InChIKey is LZFATAQLHFAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-18-10(15)6-3-7-19(16,17)14-11-8(12)4-2-5-9(11)13/h2,4-5,14H,3,6-7H2,1H3.
What are the key properties of methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate?
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate has a molecular weight of 293.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).