N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide

C12H10BrFN2O2S — CID 29008434

IUPACN-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
SMILESNc1cc(Br)ccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-8-4-5-12(11(15)6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7,16H,15H2
InChIKeyCXZZXJIOFXYNHV-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.97
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide

N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide (PubChem CID 29008434) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
PubChem CID29008434
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
SMILESNc1cc(Br)ccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H10BrFN2O2S/c13-8-4-5-12(11(15)6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7,16H,15H2
InChIKeyCXZZXJIOFXYNHV-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-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16771222
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
2-[(3-bromophenyl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016859
3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
CID 115328712
N-(2-amino-6-fluorophenyl)-3-bromobenzenesulfonamide
CID 81310122
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide (CID 29008434) is N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide is Nc1cc(Br)ccc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is CXZZXJIOFXYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-8-4-5-12(11(15)6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7,16H,15H2.
What are the key properties of N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide?
N-(2-amino-4-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 N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 29008434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).