3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide

C13H11Br2NO2S — CID 3708859

IUPAC3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C13H11Br2NO2S/c1-9-5-6-11(8-13(9)15)16-19(17,18)12-4-2-3-10(14)7-12/h2-8,16H,1H3
InChIKeyFCKDQQGKINYRIH-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.32
Rot. Bonds3

About 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide

3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide (PubChem CID 3708859) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
PubChem CID3708859
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C13H11Br2NO2S/c1-9-5-6-11(8-13(9)15)16-19(17,18)12-4-2-3-10(14)7-12/h2-8,16H,1H3
InChIKeyFCKDQQGKINYRIH-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

3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 26966432
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide (CID 3708859) is 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
The InChIKey is FCKDQQGKINYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c1-9-5-6-11(8-13(9)15)16-19(17,18)12-4-2-3-10(14)7-12/h2-8,16H,1H3.
What are the key properties of 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide?
3-bromo-N-(3-bromo-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 3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3708859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).