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

C13H10Br3NO2S — CID 63421623

IUPAC2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1Br
InChIInChI=1S/C13H10Br3NO2S/c1-8-2-4-10(7-11(8)15)17-20(18,19)13-5-3-9(14)6-12(13)16/h2-7,17H,1H3
InChIKeyMRSGDPIDURQLRN-UHFFFAOYSA-N
MW484.01 g/mol
LogP5.08
Rot. Bonds3

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

2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide (PubChem CID 63421623) has the molecular formula C13H10Br3NO2S and a molecular weight of 484.01 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
PubChem CID63421623
Molecular FormulaC13H10Br3NO2S
Molecular Weight484.01 g/mol
Exact Mass480.80
IUPAC Name2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1Br
InChIInChI=1S/C13H10Br3NO2S/c1-8-2-4-10(7-11(8)15)17-20(18,19)13-5-3-9(14)6-12(13)16/h2-7,17H,1H3
InChIKeyMRSGDPIDURQLRN-UHFFFAOYSA-N
XLogP5.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.01
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
CID 61061862
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
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-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide (CID 63421623) is 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
The InChIKey is MRSGDPIDURQLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO2S/c1-8-2-4-10(7-11(8)15)17-20(18,19)13-5-3-9(14)6-12(13)16/h2-7,17H,1H3.
What are the key properties of 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide has a molecular weight of 484.01 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 63421623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).