4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide

C20H14N2O4S — CID 155526288

IUPAC4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
InChIKeyZAVHYYCSZQXPFV-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.04
Rot. Bonds3

About 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide

4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide (PubChem CID 155526288) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
PubChem CID155526288
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
InChIKeyZAVHYYCSZQXPFV-UHFFFAOYSA-N
XLogP3.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122639159
N-[4-(4-phenylphenyl)phenyl]benzamide
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4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
The IUPAC name of 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide (CID 155526288) is 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide.
What is the SMILES notation for 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
The canonical SMILES for 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide is O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
The InChIKey is ZAVHYYCSZQXPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24).
What are the key properties of 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide has a molecular weight of 378.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide is sourced from PubChem (CID 155526288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).