4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide

C12H6Br2Cl3NO2S — CID 60640138

IUPAC4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Cl)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H6Br2Cl3NO2S/c13-6-1-2-11(8(15)3-6)18-21(19,20)12-9(16)4-7(14)5-10(12)17/h1-5,18H
InChIKeyVSIQTCMVCLOJKB-UHFFFAOYSA-N
MW494.42 g/mol
LogP5.97
Rot. Bonds3

About 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide

4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 60640138) has the molecular formula C12H6Br2Cl3NO2S and a molecular weight of 494.42 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID60640138
Molecular FormulaC12H6Br2Cl3NO2S
Molecular Weight494.42 g/mol
Exact Mass490.76
IUPAC Name4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Cl)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H6Br2Cl3NO2S/c13-6-1-2-11(8(15)3-6)18-21(19,20)12-9(16)4-7(14)5-10(12)17/h1-5,18H
InChIKeyVSIQTCMVCLOJKB-UHFFFAOYSA-N
XLogP5.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.42
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 62145351
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide (CID 60640138) is 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1Cl)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is VSIQTCMVCLOJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2Cl3NO2S/c13-6-1-2-11(8(15)3-6)18-21(19,20)12-9(16)4-7(14)5-10(12)17/h1-5,18H.
What are the key properties of 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide?
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide has a molecular weight of 494.42 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 60640138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).