1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one

C14H11Cl2NOS — CID 10733855

IUPAC1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one
SMILESCN1C(=O)c2ccccc2S1(Cl)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c1-17-14(18)10-6-2-4-8-12(10)19(17,16)13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyUBVVVNVFJSTFRW-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.72
Rot. Bonds1

About 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one

1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one (PubChem CID 10733855) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one
PubChem CID10733855
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one
SMILESCN1C(=O)c2ccccc2S1(Cl)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c1-17-14(18)10-6-2-4-8-12(10)19(17,16)13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyUBVVVNVFJSTFRW-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[2-(ethylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 60672790
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3-anilino-4-chloro-1-methylpyrrole-2,5-dione
CID 12553293
1,1-dioxo-2-(2-trimethylsilylethyl)-1,2-benzothiazol-3-one
CID 54112946
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CID 126721012

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one?
The IUPAC name of 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one (CID 10733855) is 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one?
The canonical SMILES for 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one is CN1C(=O)c2ccccc2S1(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one?
The InChIKey is UBVVVNVFJSTFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c1-17-14(18)10-6-2-4-8-12(10)19(17,16)13-9-5-3-7-11(13)15/h2-9H,1H3.
What are the key properties of 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one?
1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one has a molecular weight of 312.22 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-chlorophenyl)-2-methyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 10733855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).