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

C24H22N2O4S2 — CID 2348809

IUPAC(4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
SMILESCc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H22N2O4S2/c1-17-10-11-18(16-23(17)32(28,29)25-12-14-30-15-13-25)24(27)26-19-6-2-4-8-21(19)31-22-9-5-3-7-20(22)26/h2-11,16H,12-15H2,1H3
InChIKeyFKIUTSPPRULWPI-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.46
Rot. Bonds3

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

(4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone (PubChem CID 2348809) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
PubChem CID2348809
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC Name(4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
SMILESCc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H22N2O4S2/c1-17-10-11-18(16-23(17)32(28,29)25-12-14-30-15-13-25)24(27)26-19-6-2-4-8-21(19)31-22-9-5-3-7-20(22)26/h2-11,16H,12-15H2,1H3
InChIKeyFKIUTSPPRULWPI-UHFFFAOYSA-N
XLogP4.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone (CID 2348809) is (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone is Cc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is FKIUTSPPRULWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-17-10-11-18(16-23(17)32(28,29)25-12-14-30-15-13-25)24(27)26-19-6-2-4-8-21(19)31-22-9-5-3-7-20(22)26/h2-11,16H,12-15H2,1H3.
What are the key properties of (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
(4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 466.58 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 2348809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).