4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide

C15H12N2O5S — CID 155534340

IUPAC4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)NC3=O)cc1
InChIInChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyXGQSYCUIBPJORY-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.38
Rot. Bonds3

About 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide

4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide (PubChem CID 155534340) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
PubChem CID155534340
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)NC3=O)cc1
InChIInChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyXGQSYCUIBPJORY-UHFFFAOYSA-N
XLogP1.38
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
Anti-Influenza agent 4
CID 4156245
N-[4-(aminosulfonyl)phenyl]-4-(tetrahydro-2-furanylmethoxy)benzamide
CID 16293856
Saccharin derivative, 6n
CID 60150402
Saccharin derivative, 6b
CID 70691666
4-methoxy-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
CID 1349637
N-(4-methoxybenzyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}benzamide
CID 2198597
N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 3614029
4-(4-acetylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 4235150
4-methoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 4611588
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4881669

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide (CID 155534340) is 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)NC3=O)cc1.
What is the InChIKey of 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
The InChIKey is XGQSYCUIBPJORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide has a molecular weight of 332.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 155534340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).