propyl 2-fluoro-5-sulfamoylbenzoate

C10H12FNO4S — CID 35544265

IUPACpropyl 2-fluoro-5-sulfamoylbenzoate
SMILESCCCOC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C10H12FNO4S/c1-2-5-16-10(13)8-6-7(17(12,14)15)3-4-9(8)11/h3-4,6H,2,5H2,1H3,(H2,12,14,15)
InChIKeyRXEPGSPYRRDQHZ-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.04
Rot. Bonds4

About propyl 2-fluoro-5-sulfamoylbenzoate

propyl 2-fluoro-5-sulfamoylbenzoate (PubChem CID 35544265) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is propyl 2-fluoro-5-sulfamoylbenzoate.

Molecular Properties

Compound Namepropyl 2-fluoro-5-sulfamoylbenzoate
PubChem CID35544265
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Namepropyl 2-fluoro-5-sulfamoylbenzoate
SMILESCCCOC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C10H12FNO4S/c1-2-5-16-10(13)8-6-7(17(12,14)15)3-4-9(8)11/h3-4,6H,2,5H2,1H3,(H2,12,14,15)
InChIKeyRXEPGSPYRRDQHZ-UHFFFAOYSA-N
XLogP1.04
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
propyl 2,5-difluorobenzoate
CID 43416946
tert-butyl 2-fluoro-5-sulfamoylbenzoate
CID 65380016
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
propyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65379597
butyl 2-bromo-5-sulfamoylbenzoate
CID 60730717
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8506195
(2-ethyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-sulfamoylbenzoate
CID 30764484
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563381

Frequently Asked Questions

What is the IUPAC name of propyl 2-fluoro-5-sulfamoylbenzoate?
The IUPAC name of propyl 2-fluoro-5-sulfamoylbenzoate (CID 35544265) is propyl 2-fluoro-5-sulfamoylbenzoate.
What is the SMILES notation for propyl 2-fluoro-5-sulfamoylbenzoate?
The canonical SMILES for propyl 2-fluoro-5-sulfamoylbenzoate is CCCOC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of propyl 2-fluoro-5-sulfamoylbenzoate?
The InChIKey is RXEPGSPYRRDQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-2-5-16-10(13)8-6-7(17(12,14)15)3-4-9(8)11/h3-4,6H,2,5H2,1H3,(H2,12,14,15).
What are the key properties of propyl 2-fluoro-5-sulfamoylbenzoate?
propyl 2-fluoro-5-sulfamoylbenzoate has a molecular weight of 261.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-fluoro-5-sulfamoylbenzoate is sourced from PubChem (CID 35544265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).