methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate

C15H14FNO4S — CID 47006128

IUPACmethyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)12-8-6-11(7-9-12)10-17-22(19,20)14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3
InChIKeyLYCUACWEXCFUJP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.09
Rot. Bonds5

About methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate

methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate (PubChem CID 47006128) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
PubChem CID47006128
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Namemethyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)12-8-6-11(7-9-12)10-17-22(19,20)14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3
InChIKeyLYCUACWEXCFUJP-UHFFFAOYSA-N
XLogP2.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50915038
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
CID 110887723
2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102713
methyl 4-[(3,4,5-trifluoroanilino)methyl]benzoate
CID 62809754

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate (CID 47006128) is methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate is COC(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate?
The InChIKey is LYCUACWEXCFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-15(18)12-8-6-11(7-9-12)10-17-22(19,20)14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3.
What are the key properties of methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate?
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 47006128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).