[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate

C16H13ClFNO5S — CID 7975123

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H13ClFNO5S/c1-19-25(22,23)12-6-7-14(17)13(8-12)16(21)24-9-15(20)10-2-4-11(18)5-3-10/h2-8,19H,9H2,1H3
InChIKeyGOMMSIPAJDXFKH-UHFFFAOYSA-N
MW385.80 g/mol
LogP2.43
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate (PubChem CID 7975123) has the molecular formula C16H13ClFNO5S and a molecular weight of 385.80 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
PubChem CID7975123
Molecular FormulaC16H13ClFNO5S
Molecular Weight385.80 g/mol
Exact Mass385.02
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H13ClFNO5S/c1-19-25(22,23)12-6-7-14(17)13(8-12)16(21)24-9-15(20)10-2-4-11(18)5-3-10/h2-8,19H,9H2,1H3
InChIKeyGOMMSIPAJDXFKH-UHFFFAOYSA-N
XLogP2.43
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654385
2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975114
3-(4-fluorophenoxy)propyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 43056408
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974872
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 42983575
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 30327868
[2-(3-methylbutylamino)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974945
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524424
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975012

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate (CID 7975123) is [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The InChIKey is GOMMSIPAJDXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO5S/c1-19-25(22,23)12-6-7-14(17)13(8-12)16(21)24-9-15(20)10-2-4-11(18)5-3-10/h2-8,19H,9H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate has a molecular weight of 385.80 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7975123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).