2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one

C17H16N2O4S2 — CID 2325814

IUPAC2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H16N2O4S2/c20-17-15-3-1-2-4-16(15)24-19(17)13-5-7-14(8-6-13)25(21,22)18-9-11-23-12-10-18/h1-8H,9-12H2
InChIKeyHRHZCBHIGBSZLL-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.07
Rot. Bonds3

About 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one

2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one (PubChem CID 2325814) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one
PubChem CID2325814
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H16N2O4S2/c20-17-15-3-1-2-4-16(15)24-19(17)13-5-7-14(8-6-13)25(21,22)18-9-11-23-12-10-18/h1-8H,9-12H2
InChIKeyHRHZCBHIGBSZLL-UHFFFAOYSA-N
XLogP2.07
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one (CID 2325814) is 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one?
The InChIKey is HRHZCBHIGBSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c20-17-15-3-1-2-4-16(15)24-19(17)13-5-7-14(8-6-13)25(21,22)18-9-11-23-12-10-18/h1-8H,9-12H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one?
2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one has a molecular weight of 376.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 2325814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).