5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide

C12H10BrFN2O2S — CID 39870104

IUPAC5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2
InChIKeyGGYSBLFCCKKRED-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.97
Rot. Bonds3

About 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide

5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide (PubChem CID 39870104) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide
PubChem CID39870104
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2
InChIKeyGGYSBLFCCKKRED-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

Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
4'-Bromobenzenesulfonanilide
CID 293101
N-(4-fluorophenyl)benzenesulfonamide
CID 295229
ST50686756
CID 1129664
3-amino-N-(4-bromophenyl)benzene-1-sulfonamide
CID 3568545
3-amino-N-(4-bromophenyl)-4-chlorobenzene-1-sulfonamide
CID 3715706
1-(4-Bromophenyl)-2-(phenylsulfonyl)hydrazine
CID 3325609
3-(4-Fluorobenzenesulfonamido)benzene-1-sulfonamide
CID 4233399
2,3,4,5,6-Pentafluoro-N-(3-sulfamoyl-phenyl)-benzenesulfonamide
CID 10716079
N-(2-bromo-4-sulfamoyl-phenyl)-2,3,4,5,6-pentafluoro-benzenesulfonamide
CID 10814610
4-bromo-N'-(4-bromophenyl)benzenesulfonohydrazide
CID 118706945

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide (CID 39870104) is 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is GGYSBLFCCKKRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2.
What are the key properties of 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide?
5-amino-N-(4-bromophenyl)-2-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 5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 39870104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).