2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide

C13H12BrFN2O3S — CID 43555521

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)c(N)c1
InChIInChI=1S/C13H12BrFN2O3S/c1-20-9-3-5-13(11(16)7-9)21(18,19)17-12-6-8(14)2-4-10(12)15/h2-7,17H,16H2,1H3
InChIKeyXSLFDKVSSLSPIO-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide

2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 43555521) has the molecular formula C13H12BrFN2O3S and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID43555521
Molecular FormulaC13H12BrFN2O3S
Molecular Weight375.22 g/mol
Exact Mass373.97
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)c(N)c1
InChIInChI=1S/C13H12BrFN2O3S/c1-20-9-3-5-13(11(16)7-9)21(18,19)17-12-6-8(14)2-4-10(12)15/h2-7,17H,16H2,1H3
InChIKeyXSLFDKVSSLSPIO-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

2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide (CID 43555521) is 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)c(N)c1.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is XSLFDKVSSLSPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3S/c1-20-9-3-5-13(11(16)7-9)21(18,19)17-12-6-8(14)2-4-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide?
2-amino-N-(5-bromo-2-fluorophenyl)-4-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 2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43555521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).