1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide

C7H5Br2Cl2NO2S — CID 83084493

IUPAC1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H5Br2Cl2NO2S/c8-3-15(13,14)12-7-5(10)1-4(9)2-6(7)11/h1-2,12H,3H2
InChIKeyQQUNZPSXIPCWFR-UHFFFAOYSA-N
MW397.90 g/mol
LogP3.85
Rot. Bonds3

About 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide

1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide (PubChem CID 83084493) has the molecular formula C7H5Br2Cl2NO2S and a molecular weight of 397.90 g/mol. Its IUPAC name is 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
PubChem CID83084493
Molecular FormulaC7H5Br2Cl2NO2S
Molecular Weight397.90 g/mol
Exact Mass394.78
IUPAC Name1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H5Br2Cl2NO2S/c8-3-15(13,14)12-7-5(10)1-4(9)2-6(7)11/h1-2,12H,3H2
InChIKeyQQUNZPSXIPCWFR-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
CID 83083816
methyl 4-[(4-bromo-2,6-dichlorophenyl)sulfamoyl]butanoate
CID 61460321
1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 107681652
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651
N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 43456516
1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide
CID 83083916
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985
3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
CID 43097505
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455137
1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
CID 83086658

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide (CID 83084493) is 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide is O=S(=O)(CBr)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
The InChIKey is QQUNZPSXIPCWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl2NO2S/c8-3-15(13,14)12-7-5(10)1-4(9)2-6(7)11/h1-2,12H,3H2.
What are the key properties of 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide has a molecular weight of 397.90 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 83084493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).