(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate

C16H15F2NO5S — CID 9475074

IUPAC(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2F)ccc1OC
InChIInChI=1S/C16H15F2NO5S/c1-19-25(21,22)14-8-10(6-7-13(14)23-2)16(20)24-9-11-4-3-5-12(17)15(11)18/h3-8,19H,9H2,1-2H3
InChIKeyHHAZMKLTWUZDJP-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.24
Rot. Bonds6

About (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate

(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate (PubChem CID 9475074) has the molecular formula C16H15F2NO5S and a molecular weight of 371.36 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
PubChem CID9475074
Molecular FormulaC16H15F2NO5S
Molecular Weight371.36 g/mol
Exact Mass371.06
IUPAC Name(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2F)ccc1OC
InChIInChI=1S/C16H15F2NO5S/c1-19-25(21,22)14-8-10(6-7-13(14)23-2)16(20)24-9-11-4-3-5-12(17)15(11)18/h3-8,19H,9H2,1-2H3
InChIKeyHHAZMKLTWUZDJP-UHFFFAOYSA-N
XLogP2.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974692
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974266
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 9320186
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55312769
(2,3-difluorophenyl)methyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 55441962
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
2-(4-chlorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974148
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-methylbenzoate
CID 104794363

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The IUPAC name of (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate (CID 9475074) is (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The canonical SMILES for (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2F)ccc1OC.
What is the InChIKey of (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The InChIKey is HHAZMKLTWUZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S/c1-19-25(21,22)14-8-10(6-7-13(14)23-2)16(20)24-9-11-4-3-5-12(17)15(11)18/h3-8,19H,9H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate?
(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate has a molecular weight of 371.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 9475074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).