(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C25H21ClN2O6S2 — CID 2367280

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C25H21ClN2O6S2/c26-19-10-9-17(36(31,32)27-11-13-33-14-12-27)15-18(19)25(30)34-16-24(29)28-20-5-1-3-7-22(20)35-23-8-4-2-6-21(23)28/h1-10,15H,11-14,16H2
InChIKeyZRLJTMAQANYDQO-UHFFFAOYSA-N
MW545.04 g/mol
LogP4.35
Rot. Bonds5

About (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate

(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2367280) has the molecular formula C25H21ClN2O6S2 and a molecular weight of 545.04 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2367280
Molecular FormulaC25H21ClN2O6S2
Molecular Weight545.04 g/mol
Exact Mass544.05
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C25H21ClN2O6S2/c26-19-10-9-17(36(31,32)27-11-13-33-14-12-27)15-18(19)25(30)34-16-24(29)28-20-5-1-3-7-22(20)35-23-8-4-2-6-21(23)28/h1-10,15H,11-14,16H2
InChIKeyZRLJTMAQANYDQO-UHFFFAOYSA-N
XLogP4.35
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.04
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2372444
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
CID 1127088
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521150
(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate
CID 7466290
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530525
(2-oxo-2-piperidin-1-ylethyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2347384
(2-bromophenyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1127061
[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 4211153

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 2367280) is (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is ZRLJTMAQANYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O6S2/c26-19-10-9-17(36(31,32)27-11-13-33-14-12-27)15-18(19)25(30)34-16-24(29)28-20-5-1-3-7-22(20)35-23-8-4-2-6-21(23)28/h1-10,15H,11-14,16H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 545.04 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2367280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).