N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide

C9H8ClN3OS — CID 3161742

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H8ClN3OS/c1-2-7(14)11-8-5(10)3-4-6-9(8)13-15-12-6/h3-4H,2H2,1H3,(H,11,14)
InChIKeyRBZFUJTUVISFLU-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.69
Rot. Bonds2

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide (PubChem CID 3161742) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide
PubChem CID3161742
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H8ClN3OS/c1-2-7(14)11-8-5(10)3-4-6-9(8)13-15-12-6/h3-4H,2H2,1H3,(H,11,14)
InChIKeyRBZFUJTUVISFLU-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide (CID 3161742) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide is CCC(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide?
The InChIKey is RBZFUJTUVISFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-2-7(14)11-8-5(10)3-4-6-9(8)13-15-12-6/h3-4H,2H2,1H3,(H,11,14).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide has a molecular weight of 241.70 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propanamide is sourced from PubChem (CID 3161742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).