3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide

C9H8ClNO3S — CID 57192023

IUPAC3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
SMILESO=S1(=O)C=CONC1c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3S/c10-8-3-1-7(2-4-8)9-11-14-5-6-15(9,12)13/h1-6,9,11H
InChIKeyMFRONXASXXWRMP-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.76
Rot. Bonds1

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

3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide (PubChem CID 57192023) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
PubChem CID57192023
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
SMILESO=S1(=O)C=CONC1c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3S/c10-8-3-1-7(2-4-8)9-11-14-5-6-15(9,12)13/h1-6,9,11H
InChIKeyMFRONXASXXWRMP-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-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

N-[(4-chlorophenyl)methyl]-1-phenylmethanesulfonamide
CID 808292
N-benzyl-1-(4-chlorophenyl)methanesulfonamide
CID 13698138
N-[(4-chlorophenyl)methyl]ethanesulfonamide
CID 4140364
N-[(4-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105737
N-[(4-chlorophenyl)methyl]propane-2-sulfonamide
CID 47371211
3-(2,6-Dichlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide
CID 57051025
1-(4-Chlorophenyl)-3-methylsulfonylpropan-1-amine
CID 62607916
1-[Benzylsulfonyl(isocyano)methyl]-4-chlorobenzene
CID 141519347
(2-Chlorophenyl)-methylsulfonylmethanamine
CID 174584562
3-(4-Chlorophenyl)-2,6a-dihydrothieno[2,3-d][1,2]oxazole 4,4-dioxide
CID 4673148
1-(4-Chlorophenyl)-2-methylsulfonylethanamine
CID 62474002
1-(4-Chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 63191938

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
The IUPAC name of 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide (CID 57192023) is 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
The canonical SMILES for 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide is O=S1(=O)C=CONC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
The InChIKey is MFRONXASXXWRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c10-8-3-1-7(2-4-8)9-11-14-5-6-15(9,12)13/h1-6,9,11H.
What are the key properties of 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide?
3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide has a molecular weight of 245.69 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,3-dihydro-1,4,2-oxathiazine 4,4-dioxide is sourced from PubChem (CID 57192023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).