2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide

C12H9BrF2N2O2S — CID 65434879

IUPAC2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-5-4-7(6-10(8)15)17-20(18,19)12-9(14)2-1-3-11(12)16/h1-6,17H,16H2
InChIKeyRLLOBMJYKWRDHE-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.11
Rot. Bonds3

About 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide

2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide (PubChem CID 65434879) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide
PubChem CID65434879
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-5-4-7(6-10(8)15)17-20(18,19)12-9(14)2-1-3-11(12)16/h1-6,17H,16H2
InChIKeyRLLOBMJYKWRDHE-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.11
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

4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
CID 81289719
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
3-amino-N-(4-bromo-3-fluorophenyl)-5-methylbenzenesulfonamide
CID 65437830
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
N-(3-amino-4-bromophenyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79753588
4-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106067063
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide (CID 65434879) is 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide?
The InChIKey is RLLOBMJYKWRDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c13-8-5-4-7(6-10(8)15)17-20(18,19)12-9(14)2-1-3-11(12)16/h1-6,17H,16H2.
What are the key properties of 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide?
2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 65434879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).