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

C19H12ClNO2S — CID 66507295

IUPAC(3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)24(23)18-11-4-2-9-16(18)21/h1-12H
InChIKeyKLSOQAFNBSSJEI-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.80
Rot. Bonds1

About (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone

(3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone (PubChem CID 66507295) has the molecular formula C19H12ClNO2S and a molecular weight of 353.83 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
PubChem CID66507295
Molecular FormulaC19H12ClNO2S
Molecular Weight353.83 g/mol
Exact Mass353.03
IUPAC Name(3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)24(23)18-11-4-2-9-16(18)21/h1-12H
InChIKeyKLSOQAFNBSSJEI-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

benzoic acid;3-chlorobenzoic acid
CID 162034638
benzoyl 3-chlorobenzenecarboperoxoate
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cyclopropyl-(5-oxophenothiazin-10-yl)methanone
CID 66507453
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(11S)-3-(4-benzylpiperazine-1-carbonyl)-5-[(3-chlorophenyl)methyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one
CID 98227755
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077645
3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carbonyl chloride
CID 15341021
iodo 3-chlorobenzoate
CID 148549555
azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone (CID 66507295) is (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone is O=C(c1cccc(Cl)c1)N1c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
The InChIKey is KLSOQAFNBSSJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)24(23)18-11-4-2-9-16(18)21/h1-12H.
What are the key properties of (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone?
(3-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 (3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone is sourced from PubChem (CID 66507295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).