3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide

C9H7Cl2NO3S — CID 57051025

IUPAC3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
SMILESO=S1(=O)C=CONC1c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2NO3S/c10-6-2-1-3-7(11)8(6)9-12-15-4-5-16(9,13)14/h1-5,9,12H
InChIKeyPOODSBCMTZIGHH-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.41
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide

3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide (PubChem CID 57051025) has the molecular formula C9H7Cl2NO3S and a molecular weight of 280.13 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
PubChem CID57051025
Molecular FormulaC9H7Cl2NO3S
Molecular Weight280.13 g/mol
Exact Mass278.95
IUPAC Name3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
SMILESO=S1(=O)C=CONC1c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2NO3S/c10-6-2-1-3-7(11)8(6)9-12-15-4-5-16(9,13)14/h1-5,9,12H
InChIKeyPOODSBCMTZIGHH-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dichloro-2-[methylsulfonyl(nitroso)methyl]benzene
CID 53694675
3-(4-Chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
CID 57192023
(2-Chlorophenyl)-methylsulfonylmethanamine
CID 174584562
(6aR)-3-(2,6-dichlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 2212481
(6aS)-3-(2,6-dichlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 2212482
N-[(2-chlorophenyl)methyl]-1-(2,6-dichlorophenyl)methanesulfonamide
CID 17647056
N-benzyl-1-(2,6-dichlorophenyl)methanesulfonamide
CID 17648137
N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide
CID 71683982
1-(2-chloro-6-methylsulfonylphenyl)-N-ethoxymethanamine
CID 83170763
1-(2,6-Dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820287
1-(2,6-Dichlorophenyl)-3-methylsulfonylpropan-1-amine
CID 115848173

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
The IUPAC name of 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide (CID 57051025) is 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide is O=S1(=O)C=CONC1c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
The InChIKey is POODSBCMTZIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3S/c10-6-2-1-3-7(11)8(6)9-12-15-4-5-16(9,13)14/h1-5,9,12H.
What are the key properties of 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide has a molecular weight of 280.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide is sourced from PubChem (CID 57051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).