2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole

C15H11NO4S3 — CID 155105423

IUPAC2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(/C=C\S(=O)(=O)c1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H11NO4S3/c17-22(18,12-6-2-1-3-7-12)10-11-23(19,20)15-16-13-8-4-5-9-14(13)21-15/h1-11H/b11-10-
InChIKeyREIVCZGGVOOADB-KHPPLWFESA-N
MW365.46 g/mol
LogP3.02
Rot. Bonds4

About 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole

2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole (PubChem CID 155105423) has the molecular formula C15H11NO4S3 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole
PubChem CID155105423
Molecular FormulaC15H11NO4S3
Molecular Weight365.46 g/mol
Exact Mass364.99
IUPAC Name2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(/C=C\S(=O)(=O)c1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H11NO4S3/c17-22(18,12-6-2-1-3-7-12)10-11-23(19,20)15-16-13-8-4-5-9-14(13)21-15/h1-11H/b11-10-
InChIKeyREIVCZGGVOOADB-KHPPLWFESA-N
XLogP3.02
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
1,3-benzothiazole-2-sulfonohydrazide
CID 163739886
2-(1-phenylethylsulfonyl)-1,3-benzothiazole
CID 13383609
2-prop-2-enylsulfonyl-1,3-benzothiazole
CID 701066
N'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
CID 125485508
2-(1,3-benzothiazol-2-ylsulfonyl)-2-fluoro-1-phenylethanone
CID 42646384
(E)-5-(1,3-benzothiazol-2-ylsulfonyl)pent-2-en-1-ol
CID 46177813
2-(1,3-benzothiazol-2-ylsulfonyl)-1-[4-[2-(1,3-benzothiazol-2-ylsulfonyl)acetyl]phenyl]ethanone
CID 3530189
2-[1,3-benzothiazol-2-ylsulfonyl(dideuterio)methyl]-1,3-benzothiazole
CID 56955628
N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
CID 59552462
2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
4-(1,3-benzothiazol-2-ylsulfonyl)piperidine-1-carboxylic acid
CID 69184230

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole?
The IUPAC name of 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole (CID 155105423) is 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole.
What is the SMILES notation for 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole?
The canonical SMILES for 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole is O=S(=O)(/C=C\S(=O)(=O)c1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole?
The InChIKey is REIVCZGGVOOADB-KHPPLWFESA-N. The full InChI is InChI=1S/C15H11NO4S3/c17-22(18,12-6-2-1-3-7-12)10-11-23(19,20)15-16-13-8-4-5-9-14(13)21-15/h1-11H/b11-10-.
What are the key properties of 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole?
2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole has a molecular weight of 365.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole is sourced from PubChem (CID 155105423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).