(3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate

C15H13ClFNO5S — CID 2632971

IUPAC(3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate
SMILESCOc1ccc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C15H13ClFNO5S/c1-22-13-5-2-9(6-12(13)17)8-23-15(19)10-3-4-11(16)14(7-10)24(18,20)21/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyYDCWVQXGCFCYJO-UHFFFAOYSA-N
MW373.79 g/mol
LogP2.49
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate

(3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate (PubChem CID 2632971) has the molecular formula C15H13ClFNO5S and a molecular weight of 373.79 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate
PubChem CID2632971
Molecular FormulaC15H13ClFNO5S
Molecular Weight373.79 g/mol
Exact Mass373.02
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate
SMILESCOc1ccc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C15H13ClFNO5S/c1-22-13-5-2-9(6-12(13)17)8-23-15(19)10-3-4-11(16)14(7-10)24(18,20)21/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyYDCWVQXGCFCYJO-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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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate (CID 2632971) is (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate is COc1ccc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate?
The InChIKey is YDCWVQXGCFCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO5S/c1-22-13-5-2-9(6-12(13)17)8-23-15(19)10-3-4-11(16)14(7-10)24(18,20)21/h2-7H,8H2,1H3,(H2,18,20,21).
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate?
(3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-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 (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 2632971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).