2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide

C16H13ClN2O2S — CID 56933576

IUPAC2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide
SMILESCCn1sc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C16H13ClN2O2S/c1-2-19-14-8-7-10(9-12(14)16(21)22-19)18-15(20)11-5-3-4-6-13(11)17/h3-9H,2H2,1H3,(H,18,20)
InChIKeyFPZSNASUODLRJU-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide

2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide (PubChem CID 56933576) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide
PubChem CID56933576
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide
SMILESCCn1sc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C16H13ClN2O2S/c1-2-19-14-8-7-10(9-12(14)16(21)22-19)18-15(20)11-5-3-4-6-13(11)17/h3-9H,2H2,1H3,(H,18,20)
InChIKeyFPZSNASUODLRJU-UHFFFAOYSA-N
XLogP3.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56933574
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2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide (CID 56933576) is 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide is CCn1sc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide?
The InChIKey is FPZSNASUODLRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-2-19-14-8-7-10(9-12(14)16(21)22-19)18-15(20)11-5-3-4-6-13(11)17/h3-9H,2H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide?
2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide has a molecular weight of 332.81 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 56933576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).