2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide

C12H10BrFN2O2S — CID 104775446

IUPAC2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-9-7-8(5-6-10(9)14)16-19(17,18)12-4-2-1-3-11(12)15/h1-7,16H,15H2
InChIKeySULLRQOXRUUEDE-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.97
Rot. Bonds3

About 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide

2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide (PubChem CID 104775446) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
PubChem CID104775446
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-9-7-8(5-6-10(9)14)16-19(17,18)12-4-2-1-3-11(12)15/h1-7,16H,15H2
InChIKeySULLRQOXRUUEDE-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-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide (CID 104775446) is 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide?
The InChIKey is SULLRQOXRUUEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-9-7-8(5-6-10(9)14)16-19(17,18)12-4-2-1-3-11(12)15/h1-7,16H,15H2.
What are the key properties of 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide?
2-amino-N-(3-bromo-4-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 2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 104775446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).