3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide

C11H13ClFNO2S — CID 66217941

IUPAC3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2ccc(F)cc2Cl)N1
InChIInChI=1S/C11H13ClFNO2S/c1-7-5-17(15,16)6-11(14-7)9-3-2-8(13)4-10(9)12/h2-4,7,11,14H,5-6H2,1H3
InChIKeyGROQXGWAEHLEPR-UHFFFAOYSA-N
MW277.75 g/mol
LogP1.93
Rot. Bonds1

About 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide

3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66217941) has the molecular formula C11H13ClFNO2S and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID66217941
Molecular FormulaC11H13ClFNO2S
Molecular Weight277.75 g/mol
Exact Mass277.03
IUPAC Name3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2ccc(F)cc2Cl)N1
InChIInChI=1S/C11H13ClFNO2S/c1-7-5-17(15,16)6-11(14-7)9-3-2-8(13)4-10(9)12/h2-4,7,11,14H,5-6H2,1H3
InChIKeyGROQXGWAEHLEPR-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-chloro-4-fluorophenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65170891
3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217456
3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66218189
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66218686
2-chloro-1-[(3R)-4,4-difluoro-3-methylcyclohexyl]-4-fluorobenzene
CID 177192079
2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
CID 146633764
5-(2,4-dichlorophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 66241664
[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
CID 175272378
2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
CID 177193132
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide (CID 66217941) is 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CC(c2ccc(F)cc2Cl)N1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GROQXGWAEHLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2S/c1-7-5-17(15,16)6-11(14-7)9-3-2-8(13)4-10(9)12/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 277.75 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66217941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).