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

C14H10ClFNO4S- — CID 2396535

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19)/p-1
InChIKeyOQZORFCSUZSIDR-UHFFFAOYSA-M
MW342.76 g/mol
LogP1.67
Rot. Bonds4

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

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate (PubChem CID 2396535) has the molecular formula C14H10ClFNO4S- and a molecular weight of 342.76 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
PubChem CID2396535
Molecular FormulaC14H10ClFNO4S-
Molecular Weight342.76 g/mol
Exact Mass342.00
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19)/p-1
InChIKeyOQZORFCSUZSIDR-UHFFFAOYSA-M
XLogP1.67
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate (CID 2396535) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is OQZORFCSUZSIDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19)/p-1.
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 342.76 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2396535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).