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

C13H10Br2ClNO2S — CID 106606067

IUPAC3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-2-3-9(6-11(8)14)17-20(18,19)10-4-5-13(16)12(15)7-10/h2-7,17H,1H3
InChIKeyHFWLVICSELPRMD-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.97
Rot. Bonds3

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

3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide (PubChem CID 106606067) has the molecular formula C13H10Br2ClNO2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
PubChem CID106606067
Molecular FormulaC13H10Br2ClNO2S
Molecular Weight439.56 g/mol
Exact Mass436.85
IUPAC Name3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-2-3-9(6-11(8)14)17-20(18,19)10-4-5-13(16)12(15)7-10/h2-7,17H,1H3
InChIKeyHFWLVICSELPRMD-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
N-(3-bromo-4-methylphenyl)-4-nitrobenzenesulfonamide;ethane
CID 156650694
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide (CID 106606067) is 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide?
The InChIKey is HFWLVICSELPRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO2S/c1-8-2-3-9(6-11(8)14)17-20(18,19)10-4-5-13(16)12(15)7-10/h2-7,17H,1H3.
What are the key properties of 3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide?
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 4.97, 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)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106606067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).