(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide

C22H19NO2S — CID 132527658

IUPAC(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2/C(=C/c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H19NO2S/c24-26(25)22-14-8-7-13-21(22)20(15-18-9-3-1-4-10-18)17-23(26)16-19-11-5-2-6-12-19/h1-15H,16-17H2/b20-15+
InChIKeyJCAHFOOGBNGCTH-HMMYKYKNSA-N
MW361.47 g/mol
LogP4.43
Rot. Bonds3

About (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide

(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 132527658) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID132527658
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2/C(=C/c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H19NO2S/c24-26(25)22-14-8-7-13-21(22)20(15-18-9-3-1-4-10-18)17-23(26)16-19-11-5-2-6-12-19/h1-15H,16-17H2/b20-15+
InChIKeyJCAHFOOGBNGCTH-HMMYKYKNSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(pyridin-2-ylmethyl)-3H-1λ6,2-benzothiazine 1,1-dioxide
CID 134843100
2-benzyl-1,1-dioxo-3,5-dihydro-1λ6,2,5-benzothiadiazepin-4-one
CID 11722451
1-benzyl-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one
CID 3586048
1-benzyl-3,5-dibenzylidenepiperidin-4-one;N-ethylethanamine
CID 67689630
(3E,5E)-1-benzyl-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
CID 6265878
(3E)-3-benzylidene-1,1-dioxo-2-propan-2-yl-1λ6,2-benzothiazin-4-one
CID 17038677
6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 86120283
3,5-dibenzylidene-1-(2-phenylethyl)piperidin-4-one
CID 54220002
2-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
CID 71830005
2,7-dibenzyl-4-(2-phenylethenyl)-3,6-dihydro-1,2,7-thiadiazepine 1,1-dioxide
CID 5247691
(3E)-1-benzyl-3-[(3-fluorophenyl)methylidene]piperidin-4-one
CID 110538840
(3Z,5Z)-1-benzyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one
CID 6966481

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide (CID 132527658) is (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide is O=S1(=O)c2ccccc2/C(=C/c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is JCAHFOOGBNGCTH-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H19NO2S/c24-26(25)22-14-8-7-13-21(22)20(15-18-9-3-1-4-10-18)17-23(26)16-19-11-5-2-6-12-19/h1-15H,16-17H2/b20-15+.
What are the key properties of (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide?
(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 361.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 132527658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).