N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide

C12H10Cl2N4O2S — CID 76896736

IUPACN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)CN1
InChIInChI=1S/C12H10Cl2N4O2S/c13-6-3-7(14)10-11(18-21-17-10)9(6)16-12(20)5-1-2-8(19)15-4-5/h3,5H,1-2,4H2,(H,15,19)(H,16,20)
InChIKeyYQZKIHPHENZRJU-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.46
Rot. Bonds2

About N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide

N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 76896736) has the molecular formula C12H10Cl2N4O2S and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID76896736
Molecular FormulaC12H10Cl2N4O2S
Molecular Weight345.21 g/mol
Exact Mass343.99
IUPAC NameN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)CN1
InChIInChI=1S/C12H10Cl2N4O2S/c13-6-3-7(14)10-11(18-21-17-10)9(6)16-12(20)5-1-2-8(19)15-4-5/h3,5H,1-2,4H2,(H,15,19)(H,16,20)
InChIKeyYQZKIHPHENZRJU-UHFFFAOYSA-N
XLogP2.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide (CID 76896736) is N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)CN1.
What is the InChIKey of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YQZKIHPHENZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2S/c13-6-3-7(14)10-11(18-21-17-10)9(6)16-12(20)5-1-2-8(19)15-4-5/h3,5H,1-2,4H2,(H,15,19)(H,16,20).
What are the key properties of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide?
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 76896736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).