(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone

C23H20N2O4S2 — CID 1127088

IUPAC(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H20N2O4S2/c26-23(17-6-5-7-18(16-17)31(27,28)24-12-14-29-15-13-24)25-19-8-1-3-10-21(19)30-22-11-4-2-9-20(22)25/h1-11,16H,12-15H2
InChIKeyAHZJNGJVAYSAEQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.15
Rot. Bonds3

About (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone

(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone (PubChem CID 1127088) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
PubChem CID1127088
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H20N2O4S2/c26-23(17-6-5-7-18(16-17)31(27,28)24-12-14-29-15-13-24)25-19-8-1-3-10-21(19)30-22-11-4-2-9-20(22)25/h1-11,16H,12-15H2
InChIKeyAHZJNGJVAYSAEQ-UHFFFAOYSA-N
XLogP4.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2367280
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
[3-(1,4-oxazepan-4-ylsulfonyl)phenyl]-thiomorpholin-4-ylmethanone
CID 72916871
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521682
3-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 2578784

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone (CID 1127088) is (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is AHZJNGJVAYSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c26-23(17-6-5-7-18(16-17)31(27,28)24-12-14-29-15-13-24)25-19-8-1-3-10-21(19)30-22-11-4-2-9-20(22)25/h1-11,16H,12-15H2.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 452.56 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 1127088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).