N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide

C13H11Br2NO2S — CID 60640316

IUPACN-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C13H11Br2NO2S/c1-9-7-11(14)13(12(15)8-9)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeySVPQTOOVSOOJDS-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.32
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide

N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide (PubChem CID 60640316) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
PubChem CID60640316
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC NameN-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C13H11Br2NO2S/c1-9-7-11(14)13(12(15)8-9)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeySVPQTOOVSOOJDS-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-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-(3-bromo-4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 1186102
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
2-amino-N-(2,6-dibromo-4-methylphenyl)pyridine-3-sulfonamide
CID 62145114
4-[(2,6-dibromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63616649
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-[3-(3,5-dimethylanilino)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 46187764
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 100695379
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide (CID 60640316) is N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide?
The InChIKey is SVPQTOOVSOOJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c1-9-7-11(14)13(12(15)8-9)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3.
What are the key properties of N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide?
N-(2,6-dibromo-4-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 N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 60640316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).