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

C11H11ClN4O2S — CID 65476082

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)C1CNCCO1
InChIInChI=1S/C11H11ClN4O2S/c12-6-1-2-7-10(16-19-15-7)9(6)14-11(17)8-5-13-3-4-18-8/h1-2,8,13H,3-5H2,(H,14,17)
InChIKeyXLMZEACHYJFNJA-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.27
Rot. Bonds2

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide (PubChem CID 65476082) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide
PubChem CID65476082
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)C1CNCCO1
InChIInChI=1S/C11H11ClN4O2S/c12-6-1-2-7-10(16-19-15-7)9(6)14-11(17)8-5-13-3-4-18-8/h1-2,8,13H,3-5H2,(H,14,17)
InChIKeyXLMZEACHYJFNJA-UHFFFAOYSA-N
XLogP1.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide 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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide
CID 177062025
N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
CID 116795126
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663
N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119686787
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide (CID 65476082) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)C1CNCCO1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide?
The InChIKey is XLMZEACHYJFNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-6-1-2-7-10(16-19-15-7)9(6)14-11(17)8-5-13-3-4-18-8/h1-2,8,13H,3-5H2,(H,14,17).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide has a molecular weight of 298.75 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 65476082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).