10-benzyl-3-ethenylphenothiazine 5,5-dioxide

C21H17NO2S — CID 170013648

IUPAC10-benzyl-3-ethenylphenothiazine 5,5-dioxide
SMILESC=Cc1ccc2c(c1)S(=O)(=O)c1ccccc1N2Cc1ccccc1
InChIInChI=1S/C21H17NO2S/c1-2-16-12-13-19-21(14-16)25(23,24)20-11-7-6-10-18(20)22(19)15-17-8-4-3-5-9-17/h2-14H,1,15H2
InChIKeyNKXKDKCAVPTAEX-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.81
Rot. Bonds3

About 10-benzyl-3-ethenylphenothiazine 5,5-dioxide

10-benzyl-3-ethenylphenothiazine 5,5-dioxide (PubChem CID 170013648) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 10-benzyl-3-ethenylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-benzyl-3-ethenylphenothiazine 5,5-dioxide
PubChem CID170013648
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name10-benzyl-3-ethenylphenothiazine 5,5-dioxide
SMILESC=Cc1ccc2c(c1)S(=O)(=O)c1ccccc1N2Cc1ccccc1
InChIInChI=1S/C21H17NO2S/c1-2-16-12-13-19-21(14-16)25(23,24)20-11-7-6-10-18(20)22(19)15-17-8-4-3-5-9-17/h2-14H,1,15H2
InChIKeyNKXKDKCAVPTAEX-UHFFFAOYSA-N
XLogP4.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethenylphenyl)methyl]-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 46369333
4-[(4-ethenylphenyl)methyl]-2-(4-ethoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 22588650
N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide
CID 102247948
10-benzylphenoselenazine
CID 21409567
2-ethenyl-5,10-dimethylphenazine
CID 22055360
4-benzyl-2-(3-methoxyphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 7246399
1-benzyl-5-ethenylindole
CID 71373149
4-benzyl-2-(3-methylsulfanylphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 22589323
1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione
CID 22423909
1-benzyl-6-ethenylindazole
CID 58486291
10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine
CID 166715740
6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 86120283

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3-ethenylphenothiazine 5,5-dioxide?
The IUPAC name of 10-benzyl-3-ethenylphenothiazine 5,5-dioxide (CID 170013648) is 10-benzyl-3-ethenylphenothiazine 5,5-dioxide.
What is the SMILES notation for 10-benzyl-3-ethenylphenothiazine 5,5-dioxide?
The canonical SMILES for 10-benzyl-3-ethenylphenothiazine 5,5-dioxide is C=Cc1ccc2c(c1)S(=O)(=O)c1ccccc1N2Cc1ccccc1.
What is the InChIKey of 10-benzyl-3-ethenylphenothiazine 5,5-dioxide?
The InChIKey is NKXKDKCAVPTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-2-16-12-13-19-21(14-16)25(23,24)20-11-7-6-10-18(20)22(19)15-17-8-4-3-5-9-17/h2-14H,1,15H2.
What are the key properties of 10-benzyl-3-ethenylphenothiazine 5,5-dioxide?
10-benzyl-3-ethenylphenothiazine 5,5-dioxide has a molecular weight of 347.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3-ethenylphenothiazine 5,5-dioxide is sourced from PubChem (CID 170013648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).