2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide

C12H10BrFN2O2S — CID 62057135

IUPAC2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-8-3-1-4-9(7-8)16-19(17,18)11-6-2-5-10(14)12(11)15/h1-7,16H,15H2
InChIKeyAUPZDEVRRPOXMT-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.97
Rot. Bonds3

About 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide

2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide (PubChem CID 62057135) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
PubChem CID62057135
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-8-3-1-4-9(7-8)16-19(17,18)11-6-2-5-10(14)12(11)15/h1-7,16H,15H2
InChIKeyAUPZDEVRRPOXMT-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

N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
2-amino-N-(2,4-difluorophenyl)-3-fluorobenzenesulfonamide
CID 62058440
N-(3-bromophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456824
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
CID 54888660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide (CID 62057135) is 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide is Nc1c(F)cccc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is AUPZDEVRRPOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-8-3-1-4-9(7-8)16-19(17,18)11-6-2-5-10(14)12(11)15/h1-7,16H,15H2.
What are the key properties of 2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide?
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide 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-bromophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 62057135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).