4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide

C10H5BrCl3N3O2S — CID 102990139

IUPAC4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1Cl)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H5BrCl3N3O2S/c11-5-3-6(12)8(7(13)4-5)20(18,19)17-10-9(14)15-1-2-16-10/h1-4H,(H,16,17)
InChIKeyOJKWRRVMCGBJNE-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.00
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide (PubChem CID 102990139) has the molecular formula C10H5BrCl3N3O2S and a molecular weight of 417.50 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
PubChem CID102990139
Molecular FormulaC10H5BrCl3N3O2S
Molecular Weight417.50 g/mol
Exact Mass414.84
IUPAC Name4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1Cl)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H5BrCl3N3O2S/c11-5-3-6(12)8(7(13)4-5)20(18,19)17-10-9(14)15-1-2-16-10/h1-4H,(H,16,17)
InChIKeyOJKWRRVMCGBJNE-UHFFFAOYSA-N
XLogP4.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989994
5-bromo-N-(3-chloropyrazin-2-yl)pyridine-3-sulfonamide
CID 102989888
4-bromo-N-(3-chloropyrazin-2-yl)-2-fluorobenzenesulfonamide
CID 102989949
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
2-chloro-3-(sulfamoylamino)pyrazine
CID 102989841
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide (CID 102990139) is 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccnc1Cl)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The InChIKey is OJKWRRVMCGBJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N3O2S/c11-5-3-6(12)8(7(13)4-5)20(18,19)17-10-9(14)15-1-2-16-10/h1-4H,(H,16,17).
What are the key properties of 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide has a molecular weight of 417.50 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 102990139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).