1-bromo-10-ethylphenothiazine 5,5-dioxide

C14H12BrNO2S — CID 174917931

IUPAC1-bromo-10-ethylphenothiazine 5,5-dioxide
SMILESCCN1c2ccccc2S(=O)(=O)c2cccc(Br)c21
InChIInChI=1S/C14H12BrNO2S/c1-2-16-11-7-3-4-8-12(11)19(17,18)13-9-5-6-10(15)14(13)16/h3-9H,2H2,1H3
InChIKeyKATNBTRLQWKVKN-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.75
Rot. Bonds1

About 1-bromo-10-ethylphenothiazine 5,5-dioxide

1-bromo-10-ethylphenothiazine 5,5-dioxide (PubChem CID 174917931) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-bromo-10-ethylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name1-bromo-10-ethylphenothiazine 5,5-dioxide
PubChem CID174917931
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name1-bromo-10-ethylphenothiazine 5,5-dioxide
SMILESCCN1c2ccccc2S(=O)(=O)c2cccc(Br)c21
InChIInChI=1S/C14H12BrNO2S/c1-2-16-11-7-3-4-8-12(11)19(17,18)13-9-5-6-10(15)14(13)16/h3-9H,2H2,1H3
InChIKeyKATNBTRLQWKVKN-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane
CID 59413635
2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide
CID 20944783
5-ethyl-3-methyl-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one
CID 121432219
3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine oxide;hydrochloride
CID 129318740
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
ethyl 2-(5,5-dioxophenothiazin-10-yl)-2-oxoacetate
CID 66507132
3-(2-chloro-5,5-dioxophenothiazin-10-yl)propyl-trimethylazanium bromide
CID 67713021
N-benzyl-3-(1,2-dimethyl-5,5-dioxophenothiazin-10-yl)propan-1-amine
CID 18334625
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 20944763
5-(2-bromophenyl)-3-ethylimidazolidine-2,4-dione
CID 154762580
N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
CID 3079888

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-ethylphenothiazine 5,5-dioxide?
The IUPAC name of 1-bromo-10-ethylphenothiazine 5,5-dioxide (CID 174917931) is 1-bromo-10-ethylphenothiazine 5,5-dioxide.
What is the SMILES notation for 1-bromo-10-ethylphenothiazine 5,5-dioxide?
The canonical SMILES for 1-bromo-10-ethylphenothiazine 5,5-dioxide is CCN1c2ccccc2S(=O)(=O)c2cccc(Br)c21.
What is the InChIKey of 1-bromo-10-ethylphenothiazine 5,5-dioxide?
The InChIKey is KATNBTRLQWKVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c1-2-16-11-7-3-4-8-12(11)19(17,18)13-9-5-6-10(15)14(13)16/h3-9H,2H2,1H3.
What are the key properties of 1-bromo-10-ethylphenothiazine 5,5-dioxide?
1-bromo-10-ethylphenothiazine 5,5-dioxide has a molecular weight of 338.23 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-ethylphenothiazine 5,5-dioxide is sourced from PubChem (CID 174917931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).