5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide

C12H10BrFN2O2S — CID 65201946

IUPAC5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-9-6-5-8(15)7-12(9)19(17,18)16-11-4-2-1-3-10(11)14/h1-7,16H,15H2
InChIKeyTUMNFUBHBKMDEU-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.97
Rot. Bonds3

About 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide

5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 65201946) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID65201946
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-9-6-5-8(15)7-12(9)19(17,18)16-11-4-2-1-3-10(11)14/h1-7,16H,15H2
InChIKeyTUMNFUBHBKMDEU-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide (CID 65201946) is 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is TUMNFUBHBKMDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-9-6-5-8(15)7-12(9)19(17,18)16-11-4-2-1-3-10(11)14/h1-7,16H,15H2.
What are the key properties of 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide?
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 65201946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).