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

C15H12ClNO2S — CID 110738192

IUPAC(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCS(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2S/c16-12-7-5-11(6-8-12)15(18)17-9-10-20(19)14-4-2-1-3-13(14)17/h1-8H,9-10H2
InChIKeyPQCRDWCVNGVIKC-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.11
Rot. Bonds1

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

(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone (PubChem CID 110738192) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
PubChem CID110738192
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCS(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2S/c16-12-7-5-11(6-8-12)15(18)17-9-10-20(19)14-4-2-1-3-13(14)17/h1-8H,9-10H2
InChIKeyPQCRDWCVNGVIKC-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738207
2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
CID 170070574
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
(4-chlorophenyl)-(3-phenyl-2H-quinolin-1-yl)methanone
CID 132572449
1-(4-chlorobenzoyl)indole-2,3-dione
CID 13040311
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
1-[(4-chlorophenyl)methyl]-5-(2,3-dihydroindole-1-carbonyl)pyridin-2-one
CID 26843891
[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 102488289
(10aR)-5-[4-[(2,5-dichlorobenzoyl)amino]benzoyl]-7,7a,8,10a-tetrahydro-6H-cyclopenta[d][1]benzazepine-9-carboxylic acid
CID 24738985
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone (CID 110738192) is (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCS(=O)c2ccccc21.
What is the InChIKey of (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
The InChIKey is PQCRDWCVNGVIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-12-7-5-11(6-8-12)15(18)17-9-10-20(19)14-4-2-1-3-13(14)17/h1-8H,9-10H2.
What are the key properties of (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone?
(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone has a molecular weight of 305.79 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 110738192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).