2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide

C13H12BrFN2O3S — CID 106491308

IUPAC2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H12BrFN2O3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-6-8(14)9(15)7-10(13)16/h2-7,17H,16H2,1H3
InChIKeyUXGCNAHKTRWQAX-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 106491308) has the molecular formula C13H12BrFN2O3S and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID106491308
Molecular FormulaC13H12BrFN2O3S
Molecular Weight375.22 g/mol
Exact Mass373.97
IUPAC Name2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H12BrFN2O3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-6-8(14)9(15)7-10(13)16/h2-7,17H,16H2,1H3
InChIKeyUXGCNAHKTRWQAX-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-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide (CID 106491308) is 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is UXGCNAHKTRWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-6-8(14)9(15)7-10(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide 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-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 106491308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).