N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide

C13H12BrFN2O3S — CID 43604964

IUPACN-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H12BrFN2O3S/c1-20-12-5-2-8(14)6-13(12)21(18,19)17-11-7-9(16)3-4-10(11)15/h2-7,17H,16H2,1H3
InChIKeyGAEQMDPQGTVWCJ-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.98
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide

N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide (PubChem CID 43604964) has the molecular formula C13H12BrFN2O3S and a molecular weight of 375.22 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
PubChem CID43604964
Molecular FormulaC13H12BrFN2O3S
Molecular Weight375.22 g/mol
Exact Mass373.97
IUPAC NameN-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H12BrFN2O3S/c1-20-12-5-2-8(14)6-13(12)21(18,19)17-11-7-9(16)3-4-10(11)15/h2-7,17H,16H2,1H3
InChIKeyGAEQMDPQGTVWCJ-UHFFFAOYSA-N
XLogP2.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43555521
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3518295

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide (CID 43604964) is N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide?
The InChIKey is GAEQMDPQGTVWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3S/c1-20-12-5-2-8(14)6-13(12)21(18,19)17-11-7-9(16)3-4-10(11)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide?
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide has a molecular weight of 375.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43604964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).