2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one

C15H10ClNO2S — CID 118724017

IUPAC2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one
SMILESO=C(Cc1ccccc1Cl)n1sc2ccccc2c1=O
InChIInChI=1S/C15H10ClNO2S/c16-12-7-3-1-5-10(12)9-14(18)17-15(19)11-6-2-4-8-13(11)20-17/h1-8H,9H2
InChIKeyPLZURAMCVPIGEB-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.60
Rot. Bonds2

About 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one

2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one (PubChem CID 118724017) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one
PubChem CID118724017
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one
SMILESO=C(Cc1ccccc1Cl)n1sc2ccccc2c1=O
InChIInChI=1S/C15H10ClNO2S/c16-12-7-3-1-5-10(12)9-14(18)17-15(19)11-6-2-4-8-13(11)20-17/h1-8H,9H2
InChIKeyPLZURAMCVPIGEB-UHFFFAOYSA-N
XLogP3.60
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)propanoyl]-1,2-benzothiazol-3-one
CID 118724030
2-octadecanoyl-1,2-benzothiazol-3-one
CID 123960050
2-[(E)-3-phenylprop-2-enoyl]-1,2-benzothiazol-3-one
CID 640882
N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide
CID 71659900
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 5304395
2-(2-oxo-2-piperazin-1-ylethyl)-1,2-benzothiazol-3-one
CID 67813078
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1,2-benzothiazol-3-one
CID 66664459

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one (CID 118724017) is 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one is O=C(Cc1ccccc1Cl)n1sc2ccccc2c1=O.
What is the InChIKey of 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one?
The InChIKey is PLZURAMCVPIGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S/c16-12-7-3-1-5-10(12)9-14(18)17-15(19)11-6-2-4-8-13(11)20-17/h1-8H,9H2.
What are the key properties of 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one?
2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one has a molecular weight of 303.77 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)acetyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 118724017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).