(2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone

C19H12ClNO2S — CID 66507325

IUPAC(2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
SMILESO=C(c1ccccc1Cl)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-14-8-2-1-7-13(14)19(22)21-15-9-3-5-11-17(15)24(23)18-12-6-4-10-16(18)21/h1-12H
InChIKeyCFKGARDWAVGPCW-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.80
Rot. Bonds1

About (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone

(2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone (PubChem CID 66507325) has the molecular formula C19H12ClNO2S and a molecular weight of 353.83 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
PubChem CID66507325
Molecular FormulaC19H12ClNO2S
Molecular Weight353.83 g/mol
Exact Mass353.03
IUPAC Name(2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
SMILESO=C(c1ccccc1Cl)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-14-8-2-1-7-13(14)19(22)21-15-9-3-5-11-17(15)24(23)18-12-6-4-10-16(18)21/h1-12H
InChIKeyCFKGARDWAVGPCW-UHFFFAOYSA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2-chlorophenyl)-thiomorpholin-4-ylmethanone
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2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
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(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
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(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
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[14,22-bis(2-bromobenzoyl)-1,8,14,22-tetrazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-yl]-(2-bromophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone (CID 66507325) is (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone is O=C(c1ccccc1Cl)N1c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
The InChIKey is CFKGARDWAVGPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S/c20-14-8-2-1-7-13(14)19(22)21-15-9-3-5-11-17(15)24(23)18-12-6-4-10-16(18)21/h1-12H.
What are the key properties of (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
(2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone has a molecular weight of 353.83 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone is sourced from PubChem (CID 66507325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).