3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C13H10ClNO2S — CID 510598

IUPAC3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C13H10ClNO2S/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)18(16,17)15-13/h1-8,13,15H
InChIKeyQMAGHQNHLWPMSP-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.72
Rot. Bonds1

About 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 510598) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID510598
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C13H10ClNO2S/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)18(16,17)15-13/h1-8,13,15H
InChIKeyQMAGHQNHLWPMSP-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 510598) is 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is O=S1(=O)NC(c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is QMAGHQNHLWPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)18(16,17)15-13/h1-8,13,15H.
What are the key properties of 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 279.75 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 510598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).