5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid

C15H14FNO4S — CID 3245874

IUPAC5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C15H14FNO4S/c1-2-17(11-6-4-3-5-7-11)22(20,21)12-8-9-14(16)13(10-12)15(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeySKYUPOSNMUVLGF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.74
Rot. Bonds5

About 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid

5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid (PubChem CID 3245874) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid
PubChem CID3245874
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C15H14FNO4S/c1-2-17(11-6-4-3-5-7-11)22(20,21)12-8-9-14(16)13(10-12)15(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeySKYUPOSNMUVLGF-UHFFFAOYSA-N
XLogP2.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid (CID 3245874) is 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid is CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid?
The InChIKey is SKYUPOSNMUVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-2-17(11-6-4-3-5-7-11)22(20,21)12-8-9-14(16)13(10-12)15(18)19/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid?
5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(phenyl)sulfamoyl]-2-fluorobenzoic acid is sourced from PubChem (CID 3245874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).