2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide

C16H10Cl2N2O3S — CID 7202838

IUPAC2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O3S/c17-8-1-2-10(18)9(5-8)15(21)20-16-19-11-6-12-13(7-14(11)24-16)23-4-3-22-12/h1-2,5-7H,3-4H2,(H,19,20,21)
InChIKeyYQGLSEVLSQSBAR-UHFFFAOYSA-N
MW381.24 g/mol
LogP4.63
Rot. Bonds2

About 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide

2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide (PubChem CID 7202838) has the molecular formula C16H10Cl2N2O3S and a molecular weight of 381.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
PubChem CID7202838
Molecular FormulaC16H10Cl2N2O3S
Molecular Weight381.24 g/mol
Exact Mass379.98
IUPAC Name2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O3S/c17-8-1-2-10(18)9(5-8)15(21)20-16-19-11-6-12-13(7-14(11)24-16)23-4-3-22-12/h1-2,5-7H,3-4H2,(H,19,20,21)
InChIKeyYQGLSEVLSQSBAR-UHFFFAOYSA-N
XLogP4.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

2-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-fluorobenzamide
CID 43989658
1-[(4-chlorophenyl)methyl]-3-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)urea
CID 121081013
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 17426042
3-(2-chlorophenyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43989523
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565461
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 7203043

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide (CID 7202838) is 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is YQGLSEVLSQSBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3S/c17-8-1-2-10(18)9(5-8)15(21)20-16-19-11-6-12-13(7-14(11)24-16)23-4-3-22-12/h1-2,5-7H,3-4H2,(H,19,20,21).
What are the key properties of 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 381.24 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7202838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).