2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid

C13H9FN2O6S — CID 16773625

IUPAC2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H9FN2O6S/c14-10-3-1-2-4-12(10)23(21,22)15-11-6-5-8(16(19)20)7-9(11)13(17)18/h1-7,15H,(H,17,18)
InChIKeyUIMPDOBNCRSRGL-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.23
Rot. Bonds5

About 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid

2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid (PubChem CID 16773625) has the molecular formula C13H9FN2O6S and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
PubChem CID16773625
Molecular FormulaC13H9FN2O6S
Molecular Weight340.29 g/mol
Exact Mass340.02
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H9FN2O6S/c14-10-3-1-2-4-12(10)23(21,22)15-11-6-5-8(16(19)20)7-9(11)13(17)18/h1-7,15H,(H,17,18)
InChIKeyUIMPDOBNCRSRGL-UHFFFAOYSA-N
XLogP2.23
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
5-nitro-2-(trifluoromethylsulfonylamino)benzoic acid
CID 63110787
3-[(2-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16776827
2-[[2-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
CID 4023058
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
N-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690
2-(2-methoxyethylsulfonylamino)-5-nitrobenzoic acid
CID 63110697
2-[(3-fluorophenyl)methylamino]-5-nitrobenzoic acid
CID 28970942
2-[(2-methylphenyl)methylamino]-5-nitrobenzoic acid
CID 60661537
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 55362792

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid (CID 16773625) is 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid?
The InChIKey is UIMPDOBNCRSRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O6S/c14-10-3-1-2-4-12(10)23(21,22)15-11-6-5-8(16(19)20)7-9(11)13(17)18/h1-7,15H,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid?
2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid has a molecular weight of 340.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid is sourced from PubChem (CID 16773625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).