(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone

C15H11Cl2NO2S — CID 110738207

IUPAC(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS(=O)c2ccccc21
InChIInChI=1S/C15H11Cl2NO2S/c16-10-5-6-11(12(17)9-10)15(19)18-7-8-21(20)14-4-2-1-3-13(14)18/h1-6,9H,7-8H2
InChIKeyHGUYZKGXYZPKMB-UHFFFAOYSA-N
MW340.23 g/mol
LogP3.76
Rot. Bonds1

About (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone

(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone (PubChem CID 110738207) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
PubChem CID110738207
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC Name(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS(=O)c2ccccc21
InChIInChI=1S/C15H11Cl2NO2S/c16-10-5-6-11(12(17)9-10)15(19)18-7-8-21(20)14-4-2-1-3-13(14)18/h1-6,9H,7-8H2
InChIKeyHGUYZKGXYZPKMB-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738192
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
CID 170070574
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
1-(2,4-dichlorobenzoyl)pyrrolidin-2-one
CID 15614171
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
CID 10520959
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone
CID 88518332
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 103765210
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
CID 88518331
(2S)-4-(2,4-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595473

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone (CID 110738207) is (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCS(=O)c2ccccc21.
What is the InChIKey of (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
The InChIKey is HGUYZKGXYZPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c16-10-5-6-11(12(17)9-10)15(19)18-7-8-21(20)14-4-2-1-3-13(14)18/h1-6,9H,7-8H2.
What are the key properties of (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone has a molecular weight of 340.23 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 110738207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).