4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide

C14H9ClN2O4S — CID 155561775

IUPAC4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
InChIKeyZFBVUFNMKSTGRF-UHFFFAOYSA-N
MW336.76 g/mol
LogP2.02
Rot. Bonds2

About 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide

4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide (PubChem CID 155561775) has the molecular formula C14H9ClN2O4S and a molecular weight of 336.76 g/mol. Its IUPAC name is 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide
PubChem CID155561775
Molecular FormulaC14H9ClN2O4S
Molecular Weight336.76 g/mol
Exact Mass336.00
IUPAC Name4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
InChIKeyZFBVUFNMKSTGRF-UHFFFAOYSA-N
XLogP2.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide (CID 155561775) is 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?
The InChIKey is ZFBVUFNMKSTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19).
What are the key properties of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?
4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide has a molecular weight of 336.76 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 155561775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).