(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate

C15H13ClFNO5S — CID 8942795

IUPAC(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate
SMILESCOc1ccc(Cl)cc1COC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C15H13ClFNO5S/c1-22-14-5-2-10(16)6-9(14)8-23-15(19)12-7-11(24(18,20)21)3-4-13(12)17/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyBULNWYRRRGRHRE-UHFFFAOYSA-N
MW373.79 g/mol
LogP2.49
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate

(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate (PubChem CID 8942795) has the molecular formula C15H13ClFNO5S and a molecular weight of 373.79 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate
PubChem CID8942795
Molecular FormulaC15H13ClFNO5S
Molecular Weight373.79 g/mol
Exact Mass373.02
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate
SMILESCOc1ccc(Cl)cc1COC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C15H13ClFNO5S/c1-22-14-5-2-10(16)6-9(14)8-23-15(19)12-7-11(24(18,20)21)3-4-13(12)17/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyBULNWYRRRGRHRE-UHFFFAOYSA-N
XLogP2.49
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenoxy)propyl 2-methoxy-5-sulfamoylbenzoate
CID 2532868
(6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl 3-(N-methylsulfamoyl)benzoate
CID 2621024
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methoxycarbonyl]-4-hydroxybenzenesulfonic acid
CID 2421533
4-[4-(3-chloro-4-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2-fluorobenzenesulfonamide
CID 69878285
(2-Chloro-4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
CID 2377080
[5-Chloro-2-(difluoromethoxy)phenyl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2408888
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methoxycarbonyl]-4-hydroxybenzenesulfonate
CID 2421532
(3-Fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate
CID 2632971
[(1S)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467889
[(1R)-1-(4-fluorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467890
3-(4-Fluorophenoxy)propyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7559098
(4-Chloro-2-methylphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 7698660

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate (CID 8942795) is (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate is COc1ccc(Cl)cc1COC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate?
The InChIKey is BULNWYRRRGRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO5S/c1-22-14-5-2-10(16)6-9(14)8-23-15(19)12-7-11(24(18,20)21)3-4-13(12)17/h2-7H,8H2,1H3,(H2,18,20,21).
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate?
(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate has a molecular weight of 373.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-sulfamoylbenzoate is sourced from PubChem (CID 8942795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).