ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate

C15H14FNO4S — CID 2696970

IUPACethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO4S/c1-2-21-15(18)11-7-3-5-9-13(11)17-22(19,20)14-10-6-4-8-12(14)16/h3-10,17H,2H2,1H3
InChIKeyBJJWMIGNVMUNEK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.80
Rot. Bonds5

About ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate

ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate (PubChem CID 2696970) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate
PubChem CID2696970
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Nameethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO4S/c1-2-21-15(18)11-7-3-5-9-13(11)17-22(19,20)14-10-6-4-8-12(14)16/h3-10,17H,2H2,1H3
InChIKeyBJJWMIGNVMUNEK-UHFFFAOYSA-N
XLogP2.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
5-Methyl-2-((phenylsulfonyl)amino)benzoic acid
CID 6102684
Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
CID 22763
Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)-p-toluenesulphonamide
CID 989114
Methyl 3-(4-methylbenzenesulfonamido)benzoate
CID 1159052
Propyl anthranilate
CID 95016
5,6-Disubstituted anthranilic acid sulfonamide, 9o
CID 10245616
Benzoic acid, 5-ethyl-2-[(phenylsulfonyl)amino]-
CID 10402833

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate (CID 2696970) is ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is BJJWMIGNVMUNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-2-21-15(18)11-7-3-5-9-13(11)17-22(19,20)14-10-6-4-8-12(14)16/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate?
ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2696970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).