6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide

C24H25FN2O2S — CID 123856692

IUPAC6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC1CCN(Cc2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C24H25FN2O2S/c1-19-14-15-26(17-20-8-4-2-5-9-20)30(28,29)27(19)18-23-13-12-22(16-24(23)25)21-10-6-3-7-11-21/h2-13,16,19H,14-15,17-18H2,1H3
InChIKeyRARIITCGBYCMKY-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.83
Rot. Bonds5

About 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide

6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 123856692) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID123856692
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide
SMILESCC1CCN(Cc2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C24H25FN2O2S/c1-19-14-15-26(17-20-8-4-2-5-9-20)30(28,29)27(19)18-23-13-12-22(16-24(23)25)21-10-6-3-7-11-21/h2-13,16,19H,14-15,17-18H2,1H3
InChIKeyRARIITCGBYCMKY-UHFFFAOYSA-N
XLogP4.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide (CID 123856692) is 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide is CC1CCN(Cc2ccccc2)S(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is RARIITCGBYCMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-19-14-15-26(17-20-8-4-2-5-9-20)30(28,29)27(19)18-23-13-12-22(16-24(23)25)21-10-6-3-7-11-21/h2-13,16,19H,14-15,17-18H2,1H3.
What are the key properties of 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide?
6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 424.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(2-fluoro-4-phenylphenyl)methyl]-3-methyl-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 123856692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).