(2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone

C24H22N2O4S2 — CID 1216852

IUPAC(2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H22N2O4S2/c1-17-10-11-18(32(28,29)25-12-14-30-15-13-25)16-19(17)24(27)26-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)26/h2-11,16H,12-15H2,1H3
InChIKeyGICIEVLSVHGTOP-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.46
Rot. Bonds3

About (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone

(2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone (PubChem CID 1216852) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
PubChem CID1216852
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H22N2O4S2/c1-17-10-11-18(32(28,29)25-12-14-30-15-13-25)16-19(17)24(27)26-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)26/h2-11,16H,12-15H2,1H3
InChIKeyGICIEVLSVHGTOP-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 (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone (CID 1216852) is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is GICIEVLSVHGTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-17-10-11-18(32(28,29)25-12-14-30-15-13-25)16-19(17)24(27)26-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)26/h2-11,16H,12-15H2,1H3.
What are the key properties of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone?
(2-methyl-5-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 (2-methyl-5-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 1216852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).