(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C15H11ClINOS — CID 103221344

IUPAC(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)N1CCSc2ccccc21
InChIInChI=1S/C15H11ClINOS/c16-11-9-10(5-6-12(11)17)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8H2
InChIKeyMYKSYHSPWLDLJM-UHFFFAOYSA-N
MW415.68 g/mol
LogP4.70
Rot. Bonds1

About (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 103221344) has the molecular formula C15H11ClINOS and a molecular weight of 415.68 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID103221344
Molecular FormulaC15H11ClINOS
Molecular Weight415.68 g/mol
Exact Mass414.93
IUPAC Name(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)N1CCSc2ccccc21
InChIInChI=1S/C15H11ClINOS/c16-11-9-10(5-6-12(11)17)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8H2
InChIKeyMYKSYHSPWLDLJM-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone 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

(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51257923
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
2,3-dihydro-1,4-benzothiazin-4-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998704
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
CID 47005086
(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103756375
(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone;(3,5-dichloro-4-phenylmethoxyphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 159122153
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 8891490
N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
CID 55555042

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 103221344) is (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1ccc(I)c(Cl)c1)N1CCSc2ccccc21.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is MYKSYHSPWLDLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINOS/c16-11-9-10(5-6-12(11)17)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8H2.
What are the key properties of (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 415.68 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 103221344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).