1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C18H19N5O3S2 — CID 3243077

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1
InChIInChI=1S/C18H19N5O3S2/c1-12-4-2-7-16(19-12)20-18(24)13-8-10-23(11-9-13)28(25,26)15-6-3-5-14-17(15)22-27-21-14/h2-7,13H,8-11H2,1H3,(H,19,20,24)
InChIKeyXEVHJCSSYCATMY-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.43
Rot. Bonds4

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 3243077) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID3243077
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1
InChIInChI=1S/C18H19N5O3S2/c1-12-4-2-7-16(19-12)20-18(24)13-8-10-23(11-9-13)28(25,26)15-6-3-5-14-17(15)22-27-21-14/h2-7,13H,8-11H2,1H3,(H,19,20,24)
InChIKeyXEVHJCSSYCATMY-UHFFFAOYSA-N
XLogP2.43
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3242997
N-{4-[4-(1H-Benzoimidazol-2-yl)-piperidine-1-sulfonyl]-phenyl}-acetamide
CID 645663
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methylpyridin-2-yl)piperidine-4-carboxamide
CID 3235981
[1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 3240530
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 3241494
N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3245239
N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 9550316
N-({4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]cyclohexyl}methyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 16194468
N-(4-((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)propionamide
CID 16822750
N-(4-((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)isobutyramide
CID 16822751
N-(4-((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)butyramide
CID 16830041
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
CID 3236809

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 3243077) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is XEVHJCSSYCATMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-12-4-2-7-16(19-12)20-18(24)13-8-10-23(11-9-13)28(25,26)15-6-3-5-14-17(15)22-27-21-14/h2-7,13H,8-11H2,1H3,(H,19,20,24).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 2.43, 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-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 3243077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).