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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Related Compounds

2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
N-[4-(1-azepanylsulfonyl)phenyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
CID 2206420
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
2-(1-Benzyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)propanedinitrile
CID 42618281
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2,3-Dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 3587175
2-[4-(4-Phenyl-piperazine-1-sulfonyl)-phenyl]-isoindole-1,3-dione
CID 647077
2-(2-methoxyethyl)-3-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]isoindoline-4-carboxamide
CID 3245754
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680

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).