N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide

C13H10Br2FNO3S — CID 103412574

IUPACN-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2F)c(Br)cc1Br
InChIInChI=1S/C13H10Br2FNO3S/c1-20-12-7-11(8(14)6-9(12)15)17-21(18,19)13-5-3-2-4-10(13)16/h2-7,17H,1H3
InChIKeyXAOWXMMWQKZWRP-UHFFFAOYSA-N
MW439.10 g/mol
LogP4.16
Rot. Bonds4

About N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide

N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 103412574) has the molecular formula C13H10Br2FNO3S and a molecular weight of 439.10 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID103412574
Molecular FormulaC13H10Br2FNO3S
Molecular Weight439.10 g/mol
Exact Mass436.87
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2F)c(Br)cc1Br
InChIInChI=1S/C13H10Br2FNO3S/c1-20-12-7-11(8(14)6-9(12)15)17-21(18,19)13-5-3-2-4-10(13)16/h2-7,17H,1H3
InChIKeyXAOWXMMWQKZWRP-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.10
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
CID 103416212
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide (CID 103412574) is N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2F)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is XAOWXMMWQKZWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO3S/c1-20-12-7-11(8(14)6-9(12)15)17-21(18,19)13-5-3-2-4-10(13)16/h2-7,17H,1H3.
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide?
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 439.10 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103412574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).