N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide

C13H12BrFN2O2S — CID 104814667

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2F)cc1N
InChIInChI=1S/C13H12BrFN2O2S/c1-8-6-9(14)12(7-11(8)16)17-20(18,19)13-5-3-2-4-10(13)15/h2-7,17H,16H2,1H3
InChIKeyJXKHRAQUNYQDDW-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.28
Rot. Bonds3

About N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide

N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 104814667) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID104814667
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2F)cc1N
InChIInChI=1S/C13H12BrFN2O2S/c1-8-6-9(14)12(7-11(8)16)17-20(18,19)13-5-3-2-4-10(13)15/h2-7,17H,16H2,1H3
InChIKeyJXKHRAQUNYQDDW-UHFFFAOYSA-N
XLogP3.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.28
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-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide (CID 104814667) is N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccccc2F)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is JXKHRAQUNYQDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-8-6-9(14)12(7-11(8)16)17-20(18,19)13-5-3-2-4-10(13)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 104814667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).