N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide

C13H11Br2NO4S — CID 103416212

IUPACN-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(O)c2)c(Br)cc1Br
InChIInChI=1S/C13H11Br2NO4S/c1-20-13-7-12(10(14)6-11(13)15)16-21(18,19)9-4-2-3-8(17)5-9/h2-7,16-17H,1H3
InChIKeyBXYQCTJYIRIJBX-UHFFFAOYSA-N
MW437.11 g/mol
LogP3.73
Rot. Bonds4

About N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide

N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide (PubChem CID 103416212) has the molecular formula C13H11Br2NO4S and a molecular weight of 437.11 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
PubChem CID103416212
Molecular FormulaC13H11Br2NO4S
Molecular Weight437.11 g/mol
Exact Mass434.88
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(O)c2)c(Br)cc1Br
InChIInChI=1S/C13H11Br2NO4S/c1-20-13-7-12(10(14)6-11(13)15)16-21(18,19)9-4-2-3-8(17)5-9/h2-7,16-17H,1H3
InChIKeyBXYQCTJYIRIJBX-UHFFFAOYSA-N
XLogP3.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.11
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 104724699
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-2-sulfonamide
CID 103416653
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256
2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
CID 103410995
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 81259188

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide (CID 103416212) is N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide is COc1cc(NS(=O)(=O)c2cccc(O)c2)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide?
The InChIKey is BXYQCTJYIRIJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO4S/c1-20-13-7-12(10(14)6-11(13)15)16-21(18,19)9-4-2-3-8(17)5-9/h2-7,16-17H,1H3.
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide?
N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide has a molecular weight of 437.11 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 103416212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).