1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide

C17H17N5O3S2 — CID 3239375

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C17H17N5O3S2/c23-17(19-13-5-2-8-18-10-13)12-4-3-9-22(11-12)27(24,25)15-7-1-6-14-16(15)21-26-20-14/h1-2,5-8,10,12H,3-4,9,11H2,(H,19,23)
InChIKeyXROUJBLMKOJDOS-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.13
Rot. Bonds4

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 3239375) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID3239375
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C17H17N5O3S2/c23-17(19-13-5-2-8-18-10-13)12-4-3-9-22(11-12)27(24,25)15-7-1-6-14-16(15)21-26-20-14/h1-2,5-8,10,12H,3-4,9,11H2,(H,19,23)
InChIKeyXROUJBLMKOJDOS-UHFFFAOYSA-N
XLogP2.13
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide (CID 3239375) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide is O=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is XROUJBLMKOJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c23-17(19-13-5-2-8-18-10-13)12-4-3-9-22(11-12)27(24,25)15-7-1-6-14-16(15)21-26-20-14/h1-2,5-8,10,12H,3-4,9,11H2,(H,19,23).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3239375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).