5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid

C15H14FNO4S — CID 10245616

IUPAC5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1
InChIInChI=1S/C15H14FNO4S/c1-2-10-3-8-14(13(9-10)15(18)19)17-22(20,21)12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyIBLGBZOCZNWAQZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.89
Rot. Bonds5

About 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid

5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid (PubChem CID 10245616) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid
PubChem CID10245616
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1
InChIInChI=1S/C15H14FNO4S/c1-2-10-3-8-14(13(9-10)15(18)19)17-22(20,21)12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyIBLGBZOCZNWAQZ-UHFFFAOYSA-N
XLogP2.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid (CID 10245616) is 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The InChIKey is IBLGBZOCZNWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-2-10-3-8-14(13(9-10)15(18)19)17-22(20,21)12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3,(H,18,19).
What are the key properties of 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid?
5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-fluorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 10245616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).