2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide

C10H10BrClFNO2S — CID 107612916

IUPAC2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H10BrClFNO2S/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-17(14,15)16/h5-6H,1-4H2
InChIKeyOPEPHAAOXBFSDF-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.17
Rot. Bonds1

About 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide

2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide (PubChem CID 107612916) has the molecular formula C10H10BrClFNO2S and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide
PubChem CID107612916
Molecular FormulaC10H10BrClFNO2S
Molecular Weight342.62 g/mol
Exact Mass340.93
IUPAC Name2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H10BrClFNO2S/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-17(14,15)16/h5-6H,1-4H2
InChIKeyOPEPHAAOXBFSDF-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide
CID 71974147
2-bromo-6-chloro-N-(3-ethylsulfonylpropyl)-4-fluoroaniline
CID 104878277
2-bromo-6-chloro-4-fluoro-N-(3-methylsulfonylpropyl)aniline
CID 104878290
N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide
CID 104922630
N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide
CID 104922648
N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide
CID 104922656
N-(2-bromo-6-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 104922660
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106087681
N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106087688
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106087689
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106087690
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106087691

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide (CID 107612916) is 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide is O=S1(=O)CCCCN1c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide?
The InChIKey is OPEPHAAOXBFSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO2S/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-17(14,15)16/h5-6H,1-4H2.
What are the key properties of 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide?
2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide has a molecular weight of 342.62 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 107612916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).