5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C11H7Cl2N3O3S2 — CID 118971105

IUPAC5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cn2c(n1)sc1c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H7Cl2N3O3S2/c1-21(18,19)15-10(17)6-4-16-7-3-2-5(12)8(13)9(7)20-11(16)14-6/h2-4H,1H3,(H,15,17)
InChIKeyDJOFDYLXEJTPSL-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.55
Rot. Bonds2

About 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide

5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 118971105) has the molecular formula C11H7Cl2N3O3S2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID118971105
Molecular FormulaC11H7Cl2N3O3S2
Molecular Weight364.24 g/mol
Exact Mass362.93
IUPAC Name5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cn2c(n1)sc1c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H7Cl2N3O3S2/c1-21(18,19)15-10(17)6-4-16-7-3-2-5(12)8(13)9(7)20-11(16)14-6/h2-4H,1H3,(H,15,17)
InChIKeyDJOFDYLXEJTPSL-UHFFFAOYSA-N
XLogP2.55
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 118971105) is 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is CS(=O)(=O)NC(=O)c1cn2c(n1)sc1c(Cl)c(Cl)ccc12.
What is the InChIKey of 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is DJOFDYLXEJTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3S2/c1-21(18,19)15-10(17)6-4-16-7-3-2-5(12)8(13)9(7)20-11(16)14-6/h2-4H,1H3,(H,15,17).
What are the key properties of 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 118971105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).