2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid

C10H13FN2O4S — CID 79522120

IUPAC2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
SMILESNS(=O)(=O)CCCNc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H13FN2O4S/c11-7-3-1-4-8(9(7)10(14)15)13-5-2-6-18(12,16)17/h1,3-4,13H,2,5-6H2,(H,14,15)(H2,12,16,17)
InChIKeyVEUYZFQERJSAFV-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.61
Rot. Bonds6

About 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid

2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid (PubChem CID 79522120) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
PubChem CID79522120
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
SMILESNS(=O)(=O)CCCNc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H13FN2O4S/c11-7-3-1-4-8(9(7)10(14)15)13-5-2-6-18(12,16)17/h1,3-4,13H,2,5-6H2,(H,14,15)(H2,12,16,17)
InChIKeyVEUYZFQERJSAFV-UHFFFAOYSA-N
XLogP0.61
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(3-methylsulfonylpropylamino)benzoic acid
CID 79522433
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
CID 79523169
2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342787
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
2-(3-fluoro-2-methylanilino)ethanesulfonamide
CID 114384957
2-bromo-6-(2-ethylsulfonylethylamino)benzoic acid
CID 114112444
1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
CID 75442202
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
CID 81051441

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid (CID 79522120) is 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid is NS(=O)(=O)CCCNc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid?
The InChIKey is VEUYZFQERJSAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c11-7-3-1-4-8(9(7)10(14)15)13-5-2-6-18(12,16)17/h1,3-4,13H,2,5-6H2,(H,14,15)(H2,12,16,17).
What are the key properties of 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid?
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid is sourced from PubChem (CID 79522120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).