2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide

C13H10Br3NO3S — CID 82861269

IUPAC2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1Br
InChIInChI=1S/C13H10Br3NO3S/c1-20-12-7-9(3-4-10(12)15)17-21(18,19)13-5-2-8(14)6-11(13)16/h2-7,17H,1H3
InChIKeyGMGKUFNUCHZNBO-UHFFFAOYSA-N
MW500.01 g/mol
LogP4.78
Rot. Bonds4

About 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide

2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide (PubChem CID 82861269) has the molecular formula C13H10Br3NO3S and a molecular weight of 500.01 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
PubChem CID82861269
Molecular FormulaC13H10Br3NO3S
Molecular Weight500.01 g/mol
Exact Mass496.79
IUPAC Name2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1Br
InChIInChI=1S/C13H10Br3NO3S/c1-20-12-7-9(3-4-10(12)15)17-21(18,19)13-5-2-8(14)6-11(13)16/h2-7,17H,1H3
InChIKeyGMGKUFNUCHZNBO-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.01
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide (CID 82861269) is 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1Br.
What is the InChIKey of 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is GMGKUFNUCHZNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO3S/c1-20-12-7-9(3-4-10(12)15)17-21(18,19)13-5-2-8(14)6-11(13)16/h2-7,17H,1H3.
What are the key properties of 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide?
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide has a molecular weight of 500.01 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82861269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).