4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C14H11Cl2N3O2S — CID 3043805

IUPAC4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cnccc2N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O2S/c1-2-14-18-22(20,21)13-8-17-6-5-12(13)19(14)9-3-4-10(15)11(16)7-9/h3-8H,2H2,1H3
InChIKeyOOOFLCQHGNGJHR-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.04
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 3043805) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID3043805
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cnccc2N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O2S/c1-2-14-18-22(20,21)13-8-17-6-5-12(13)19(14)9-3-4-10(15)11(16)7-9/h3-8H,2H2,1H3
InChIKeyOOOFLCQHGNGJHR-UHFFFAOYSA-N
XLogP4.04
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
2,3-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444711
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683
3,4-Dichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839468
3-Pyridinesulfonamide, 4-((3,4-dichlorophenyl)amino)-
CID 902071
N-[2-(3,4-dichloroanilino)pyridin-3-yl]sulfonylacetamide
CID 1214525
4-(3,4-Dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
CID 71859095
4-[4-(3,4-Dichlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73346474
4-[4-(4-Chlorophenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 73352539

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 3043805) is 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCC1=NS(=O)(=O)c2cnccc2N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is OOOFLCQHGNGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c1-2-14-18-22(20,21)13-8-17-6-5-12(13)19(14)9-3-4-10(15)11(16)7-9/h3-8H,2H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 356.23 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-ethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 3043805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).