3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid

C11H12FNO6S — CID 79187850

IUPAC3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
SMILESCOC(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H12FNO6S/c1-19-10(14)4-5-13-20(17,18)9-3-2-7(11(15)16)6-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,15,16)
InChIKeySCFHAJMUYUKDQJ-UHFFFAOYSA-N
MW305.28 g/mol
LogP0.37
Rot. Bonds6

About 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid

3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid (PubChem CID 79187850) has the molecular formula C11H12FNO6S and a molecular weight of 305.28 g/mol. Its IUPAC name is 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
PubChem CID79187850
Molecular FormulaC11H12FNO6S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
SMILESCOC(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H12FNO6S/c1-19-10(14)4-5-13-20(17,18)9-3-2-7(11(15)16)6-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,15,16)
InChIKeySCFHAJMUYUKDQJ-UHFFFAOYSA-N
XLogP0.37
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 79187630
4-[(4-amino-4-oxobutyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187711
4-[2-(carbamoylamino)ethylsulfamoyl]-3-fluorobenzoic acid
CID 83116387
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
3-fluoro-4-(2-pyrrol-1-ylethylsulfamoyl)benzoic acid
CID 106390664
4-[3-(cyclopropylamino)propylsulfamoyl]-3-fluorobenzoic acid
CID 79177684
3-bromo-5-[(3-methoxy-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 81475979
3-fluoro-4-[(2-hydroxy-2-methylpentyl)sulfamoyl]benzoic acid
CID 106290816
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid (CID 79187850) is 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid is COC(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
The InChIKey is SCFHAJMUYUKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO6S/c1-19-10(14)4-5-13-20(17,18)9-3-2-7(11(15)16)6-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid?
3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid has a molecular weight of 305.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 79187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).