5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid

C11H13ClFNO5S — CID 146108671

IUPAC5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1cc(S(=O)(=O)N(C)CCF)c(Cl)cc1C(=O)O
InChIInChI=1S/C11H13ClFNO5S/c1-14(4-3-13)20(17,18)10-6-9(19-2)7(11(15)16)5-8(10)12/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyHFDKDVAZIMEDBY-UHFFFAOYSA-N
MW325.75 g/mol
LogP1.64
Rot. Bonds6

About 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid

5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 146108671) has the molecular formula C11H13ClFNO5S and a molecular weight of 325.75 g/mol. Its IUPAC name is 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID146108671
Molecular FormulaC11H13ClFNO5S
Molecular Weight325.75 g/mol
Exact Mass325.02
IUPAC Name5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1cc(S(=O)(=O)N(C)CCF)c(Cl)cc1C(=O)O
InChIInChI=1S/C11H13ClFNO5S/c1-14(4-3-13)20(17,18)10-6-9(19-2)7(11(15)16)5-8(10)12/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyHFDKDVAZIMEDBY-UHFFFAOYSA-N
XLogP1.64
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid (CID 146108671) is 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid is COc1cc(S(=O)(=O)N(C)CCF)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is HFDKDVAZIMEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO5S/c1-14(4-3-13)20(17,18)10-6-9(19-2)7(11(15)16)5-8(10)12/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 325.75 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-fluoroethyl(methyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 146108671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).