3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide

C13H12FN3O3S — CID 61107352

IUPAC3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C13H12FN3O3S/c14-9-4-5-11(15)12(7-9)21(19,20)17-10-3-1-2-8(6-10)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyUNCPRHOROSRXJE-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.31
Rot. Bonds4

About 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide

3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide (PubChem CID 61107352) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
PubChem CID61107352
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C13H12FN3O3S/c14-9-4-5-11(15)12(7-9)21(19,20)17-10-3-1-2-8(6-10)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyUNCPRHOROSRXJE-UHFFFAOYSA-N
XLogP1.31
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
CID 62145197
3-(sulfamoylamino)benzamide
CID 57051238
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide (CID 61107352) is 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide is NC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2N)c1.
What is the InChIKey of 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is UNCPRHOROSRXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-9-4-5-11(15)12(7-9)21(19,20)17-10-3-1-2-8(6-10)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide?
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 309.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 61107352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).