methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate

C15H20FNO6S — CID 100814389

IUPACmethyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1F
InChIInChI=1S/C15H20FNO6S/c1-22-15(19)9-23-14-7-6-12(8-13(14)16)24(20,21)17-10-2-4-11(18)5-3-10/h6-8,10-11,17-18H,2-5,9H2,1H3
InChIKeyZSRGTJFGGOGOLY-UHFFFAOYSA-N
MW361.39 g/mol
LogP0.96
Rot. Bonds6

About methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate

methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate (PubChem CID 100814389) has the molecular formula C15H20FNO6S and a molecular weight of 361.39 g/mol. Its IUPAC name is methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate
PubChem CID100814389
Molecular FormulaC15H20FNO6S
Molecular Weight361.39 g/mol
Exact Mass361.10
IUPAC Namemethyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1F
InChIInChI=1S/C15H20FNO6S/c1-22-15(19)9-23-14-7-6-12(8-13(14)16)24(20,21)17-10-2-4-11(18)5-3-10/h6-8,10-11,17-18H,2-5,9H2,1H3
InChIKeyZSRGTJFGGOGOLY-UHFFFAOYSA-N
XLogP0.96
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122101413
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
methyl 2-[2-fluoro-4-[2-[(4-fluorophenyl)sulfonylamino]-1-sulfanylethyl]phenoxy]acetate
CID 57041859
2-[4-[[(2S,3R)-2-ethenyloxan-3-yl]sulfamoyl]-2-fluorophenoxy]acetic acid
CID 154805578
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate (CID 100814389) is methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1F.
What is the InChIKey of methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate?
The InChIKey is ZSRGTJFGGOGOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO6S/c1-22-15(19)9-23-14-7-6-12(8-13(14)16)24(20,21)17-10-2-4-11(18)5-3-10/h6-8,10-11,17-18H,2-5,9H2,1H3.
What are the key properties of methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate?
methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate has a molecular weight of 361.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 100814389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).