3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid

C11H13FN2O5S — CID 63189853

IUPAC3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C11H13FN2O5S/c12-9-7-8(11(15)16)1-2-10(9)13-20(17,18)14-3-5-19-6-4-14/h1-2,7,13H,3-6H2,(H,15,16)
InChIKeyHDSBSPOQBJANHC-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.51
Rot. Bonds4

About 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid

3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid (PubChem CID 63189853) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
PubChem CID63189853
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C11H13FN2O5S/c12-9-7-8(11(15)16)1-2-10(9)13-20(17,18)14-3-5-19-6-4-14/h1-2,7,13H,3-6H2,(H,15,16)
InChIKeyHDSBSPOQBJANHC-UHFFFAOYSA-N
XLogP0.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide
CID 175830759
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
tert-butyl 4-[(4-carbamoyl-2-fluorophenyl)sulfamoyl]piperazine-1-carboxylate
CID 155684708
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 29280963
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid (CID 63189853) is 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid?
The InChIKey is HDSBSPOQBJANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c12-9-7-8(11(15)16)1-2-10(9)13-20(17,18)14-3-5-19-6-4-14/h1-2,7,13H,3-6H2,(H,15,16).
What are the key properties of 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid?
3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid has a molecular weight of 304.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 63189853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).