(2-chlorophenothiazin-10-yl)-phenylmethanone

C19H12ClNOS — CID 830741

IUPAC(2-chlorophenothiazin-10-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H12ClNOS/c20-14-10-11-18-16(12-14)21(15-8-4-5-9-17(15)23-18)19(22)13-6-2-1-3-7-13/h1-12H
InChIKeyGEWSWDQRMYUYDV-UHFFFAOYSA-N
MW337.83 g/mol
LogP5.78
Rot. Bonds1

About (2-chlorophenothiazin-10-yl)-phenylmethanone

(2-chlorophenothiazin-10-yl)-phenylmethanone (PubChem CID 830741) has the molecular formula C19H12ClNOS and a molecular weight of 337.83 g/mol. Its IUPAC name is (2-chlorophenothiazin-10-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-chlorophenothiazin-10-yl)-phenylmethanone
PubChem CID830741
Molecular FormulaC19H12ClNOS
Molecular Weight337.83 g/mol
Exact Mass337.03
IUPAC Name(2-chlorophenothiazin-10-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H12ClNOS/c20-14-10-11-18-16(12-14)21(15-8-4-5-9-17(15)23-18)19(22)13-6-2-1-3-7-13/h1-12H
InChIKeyGEWSWDQRMYUYDV-UHFFFAOYSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.83
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-Benzoyl-10H-phenothiazine
CID 262319
1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CID 1238015
1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one
CID 44435200
1-(10H-phenothiazin-10-yl)-3-phenylpropan-1-one
CID 893336
(4-Methylphenyl)-(10-phenothiazinyl)methanone
CID 3473393
N-(5-chloro-2-(2-((dimethylamino)methyl)phenylthio)phenyl)-4-fluorobenzamide
CID 44580186
(2-chloro-5-nitrophenyl)(10H-phenothiazin-10-yl)methanone
CID 1421194
(10H-phenothiazin-10-yl)(o-tolyl)methanone
CID 3473839
(10H-phenothiazin-10-yl)(m-tolyl)methanone
CID 3473842
N-[5-chloro-2-(phenylsulfanyl)phenyl]-2-phenylacetamide
CID 2480386
[2-(4-Chloro-3-methylphenyl)-2-oxoethyl]-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium
CID 10745554
4-[(1-chlorophenothiazin-10-yl)methyl]-N-hydroxybenzamide
CID 155521717

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenothiazin-10-yl)-phenylmethanone?
The IUPAC name of (2-chlorophenothiazin-10-yl)-phenylmethanone (CID 830741) is (2-chlorophenothiazin-10-yl)-phenylmethanone.
What is the SMILES notation for (2-chlorophenothiazin-10-yl)-phenylmethanone?
The canonical SMILES for (2-chlorophenothiazin-10-yl)-phenylmethanone is O=C(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of (2-chlorophenothiazin-10-yl)-phenylmethanone?
The InChIKey is GEWSWDQRMYUYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNOS/c20-14-10-11-18-16(12-14)21(15-8-4-5-9-17(15)23-18)19(22)13-6-2-1-3-7-13/h1-12H.
What are the key properties of (2-chlorophenothiazin-10-yl)-phenylmethanone?
(2-chlorophenothiazin-10-yl)-phenylmethanone has a molecular weight of 337.83 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenothiazin-10-yl)-phenylmethanone is sourced from PubChem (CID 830741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).