(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate

C15H13ClFNO4S — CID 18125487

IUPAC(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClFNO4S/c1-18-23(20,21)12-6-7-14(17)13(8-12)15(19)22-9-10-2-4-11(16)5-3-10/h2-8,18H,9H2,1H3
InChIKeyCGKYZBJFICDHII-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.74
Rot. Bonds5

About (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate

(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate (PubChem CID 18125487) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
PubChem CID18125487
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClFNO4S/c1-18-23(20,21)12-6-7-14(17)13(8-12)15(19)22-9-10-2-4-11(16)5-3-10/h2-8,18H,9H2,1H3
InChIKeyCGKYZBJFICDHII-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 46663557
(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125528
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 30272893
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125497
(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125525
[2-(tert-butylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085308
[2-oxo-2-(pentylamino)ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 34876926
(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490032
[2-(2-methylpropylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085309
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18202293
(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16578035

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The IUPAC name of (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate (CID 18125487) is (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
The InChIKey is CGKYZBJFICDHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-18-23(20,21)12-6-7-14(17)13(8-12)15(19)22-9-10-2-4-11(16)5-3-10/h2-8,18H,9H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate?
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate has a molecular weight of 357.79 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 18125487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).