2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide

C11H11Cl2F3N2O2S — CID 86708928

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC1CNS(=O)(=O)N(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H11Cl2F3N2O2S/c1-6-4-17-21(19,20)18(5-6)10-8(12)2-7(3-9(10)13)11(14,15)16/h2-3,6,17H,4-5H2,1H3
InChIKeyFAKNAOSWRGHRPI-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.30
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 86708928) has the molecular formula C11H11Cl2F3N2O2S and a molecular weight of 363.19 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID86708928
Molecular FormulaC11H11Cl2F3N2O2S
Molecular Weight363.19 g/mol
Exact Mass361.99
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC1CNS(=O)(=O)N(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H11Cl2F3N2O2S/c1-6-4-17-21(19,20)18(5-6)10-8(12)2-7(3-9(10)13)11(14,15)16/h2-3,6,17H,4-5H2,1H3
InChIKeyFAKNAOSWRGHRPI-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide with MolForge

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Related Compounds

(3S,5S)-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine
CID 7313016
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)-2H-thiadiazol-1-ium-4-amine
CID 162546554
(3R,5R)-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine
CID 7313018
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 116700925
4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 5324659
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole
CID 91517519
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-propan-2-yl-3,4-dihydropyrazole-3-carbaldehyde
CID 174247118
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 18614754

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide (CID 86708928) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide is CC1CNS(=O)(=O)N(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is FAKNAOSWRGHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O2S/c1-6-4-17-21(19,20)18(5-6)10-8(12)2-7(3-9(10)13)11(14,15)16/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 363.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 86708928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).