4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide

C12H6BrCl4NO2S — CID 60640543

IUPAC4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl4NO2S/c13-6-1-10(16)12(11(17)2-6)21(19,20)18-9-4-7(14)3-8(15)5-9/h1-5,18H
InChIKeyKZAHRSFUBXQJIY-UHFFFAOYSA-N
MW449.97 g/mol
LogP5.86
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide (PubChem CID 60640543) has the molecular formula C12H6BrCl4NO2S and a molecular weight of 449.97 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
PubChem CID60640543
Molecular FormulaC12H6BrCl4NO2S
Molecular Weight449.97 g/mol
Exact Mass446.81
IUPAC Name4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl4NO2S/c13-6-1-10(16)12(11(17)2-6)21(19,20)18-9-4-7(14)3-8(15)5-9/h1-5,18H
InChIKeyKZAHRSFUBXQJIY-UHFFFAOYSA-N
XLogP5.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.97
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
CID 103775541
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782
4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990139
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide (CID 60640543) is 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is KZAHRSFUBXQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl4NO2S/c13-6-1-10(16)12(11(17)2-6)21(19,20)18-9-4-7(14)3-8(15)5-9/h1-5,18H.
What are the key properties of 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide has a molecular weight of 449.97 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 60640543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).