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

C18H19N5O3S2 — CID 3243220

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C18H19N5O3S2/c24-18(20-11-14-6-1-2-9-19-14)13-5-4-10-23(12-13)28(25,26)16-8-3-7-15-17(16)22-27-21-15/h1-3,6-9,13H,4-5,10-12H2,(H,20,24)
InChIKeyPNSXNCNKEROXIV-UHFFFAOYSA-N
MW417.52 g/mol
LogP1.80
Rot. Bonds5

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

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3243220) 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-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3243220
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C18H19N5O3S2/c24-18(20-11-14-6-1-2-9-19-14)13-5-4-10-23(12-13)28(25,26)16-8-3-7-15-17(16)22-27-21-15/h1-3,6-9,13H,4-5,10-12H2,(H,20,24)
InChIKeyPNSXNCNKEROXIV-UHFFFAOYSA-N
XLogP1.80
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

VU0255035
CID 24768606
2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenyl-N-(pyridin-4-yl)acetamide
CID 20856812
N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 659653
[1-(2,1,3-Benzoxadiazol-4-ylsulfonyl)azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 70682148
1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2976301
N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3235697
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methylpyridin-2-yl)piperidine-4-carboxamide
CID 3235981
N-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3242997
1-(benzenesulfonyl)-N-(pyridin-3-yl)piperidine-3-carboxamide
CID 4086847
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 6619603
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-benzylpiperidine-3-carboxamide
CID 16020135
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(ethyl)amino]ethyl}piperidine-3-carboxamide
CID 16020140

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 3243220) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PNSXNCNKEROXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c24-18(20-11-14-6-1-2-9-19-14)13-5-4-10-23(12-13)28(25,26)16-8-3-7-15-17(16)22-27-21-15/h1-3,6-9,13H,4-5,10-12H2,(H,20,24).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 1.80, 5 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-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3243220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).