4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide

C13H10Br3NO2S — CID 60640730

IUPAC4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)ccc1Br
InChIInChI=1S/C13H10Br3NO2S/c1-8-6-10(3-4-11(8)15)20(18,19)17-13-5-2-9(14)7-12(13)16/h2-7,17H,1H3
InChIKeyMRFLASVIKLYLDC-UHFFFAOYSA-N
MW484.01 g/mol
LogP5.08
Rot. Bonds3

About 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide

4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide (PubChem CID 60640730) has the molecular formula C13H10Br3NO2S and a molecular weight of 484.01 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
PubChem CID60640730
Molecular FormulaC13H10Br3NO2S
Molecular Weight484.01 g/mol
Exact Mass480.80
IUPAC Name4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)ccc1Br
InChIInChI=1S/C13H10Br3NO2S/c1-8-6-10(3-4-11(8)15)20(18,19)17-13-5-2-9(14)7-12(13)16/h2-7,17H,1H3
InChIKeyMRFLASVIKLYLDC-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

4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
methyl 4-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methylbenzoate
CID 24651251
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
CID 22773581
N-(2,4-dibromophenyl)-3-nitrobenzenesulfonamide
CID 22773590
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide (CID 60640730) is 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)ccc1Br.
What is the InChIKey of 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide?
The InChIKey is MRFLASVIKLYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO2S/c1-8-6-10(3-4-11(8)15)20(18,19)17-13-5-2-9(14)7-12(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide 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 4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 60640730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).