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

C13H11Br2NO2S — CID 47257416

IUPAC2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H11Br2NO2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(14)8-12(13)15/h2-8,16H,1H3
InChIKeyAJYBLWURODRARA-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.32
Rot. Bonds3

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

2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 47257416) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
PubChem CID47257416
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H11Br2NO2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(14)8-12(13)15/h2-8,16H,1H3
InChIKeyAJYBLWURODRARA-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide (CID 47257416) is 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is AJYBLWURODRARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(14)8-12(13)15/h2-8,16H,1H3.
What are the key properties of 2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide?
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 405.11 g/mol, XLogP of 4.32, 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-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 47257416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).