methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate

C14H11ClFNO4S — CID 5184954

IUPACmethyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H11ClFNO4S/c1-21-14(18)12-6-5-9(15)7-13(12)17-22(19,20)11-4-2-3-10(16)8-11/h2-8,17H,1H3
InChIKeyUFLXGYXLHOKBOX-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.07
Rot. Bonds4

About methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate

methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate (PubChem CID 5184954) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
PubChem CID5184954
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Namemethyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H11ClFNO4S/c1-21-14(18)12-6-5-9(15)7-13(12)17-22(19,20)11-4-2-3-10(16)8-11/h2-8,17H,1H3
InChIKeyUFLXGYXLHOKBOX-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate (CID 5184954) is methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate is COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is UFLXGYXLHOKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c1-21-14(18)12-6-5-9(15)7-13(12)17-22(19,20)11-4-2-3-10(16)8-11/h2-8,17H,1H3.
What are the key properties of methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate?
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 343.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 5184954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).