2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C17H18ClFN2O2S — CID 20921460

IUPAC2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O2S/c18-17-5-2-1-4-15(17)13-21-11-3-10-20(24(21,22)23)12-14-6-8-16(19)9-7-14/h1-2,4-9H,3,10-13H2
InChIKeyJHVQRIWAZVIAMB-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.43
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921460) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921460
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC Name2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O2S/c18-17-5-2-1-4-15(17)13-21-11-3-10-20(24(21,22)23)12-14-6-8-16(19)9-7-14/h1-2,4-9H,3,10-13H2
InChIKeyJHVQRIWAZVIAMB-UHFFFAOYSA-N
XLogP3.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-[(2-chlorophenyl)methyl]piperazine
CID 764825
4-Benzyl-1-(2-chlorobenzyl)piperidine
CID 1377195
2-(2-Chloro-6-fluorobenzyl)-6-(2-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 7245511
2-(2-Chloro-4-fluorobenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921552
2-(4-Chlorobenzyl)-6-(2-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921560
1,4-Bis-(2-chlorobenzyl) piperazine
CID 17267323
1-(Benzylsulfonyl)-4-(2-chloro-4-fluorobenzyl)piperazine
CID 6465133
2-Benzyl-6-[(3-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 16027521
Cambridge id 5429188
CID 783350
1-Benzylsulfonyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 9443410

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921460) is 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N(Cc2ccc(F)cc2)CCCN1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is JHVQRIWAZVIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c18-17-5-2-1-4-15(17)13-21-11-3-10-20(24(21,22)23)12-14-6-8-16(19)9-7-14/h1-2,4-9H,3,10-13H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 368.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).