N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide

C16H19N3O3S — CID 100702172

IUPACN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c20-23(21,15-4-2-8-18-12-15)19-16(13-5-9-22-10-6-13)14-3-1-7-17-11-14/h1-4,7-8,11-13,16,19H,5-6,9-10H2/t16-/m0/s1
InChIKeyPZJRQQKUZNAYTI-INIZCTEOSA-N
MW333.41 g/mol
LogP1.92
Rot. Bonds5

About N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide

N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 100702172) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID100702172
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c20-23(21,15-4-2-8-18-12-15)19-16(13-5-9-22-10-6-13)14-3-1-7-17-11-14/h1-4,7-8,11-13,16,19H,5-6,9-10H2/t16-/m0/s1
InChIKeyPZJRQQKUZNAYTI-INIZCTEOSA-N
XLogP1.92
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
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N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
N-((2R,3R)-2-Pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzenesulfonamide
CID 44401791
Pyridine-3-sulfonic Acid 3,3-(Diphenylpropyl)-amide
CID 25036176
N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)-2-(trifluoromethyl)benzenesulfonamide
CID 91629859
[(S)-(3-pyridyl)(tetrahydro-4H-pyran-4-yl)methyl](3,3,3-trifluoropropylsulfonyl)amine
CID 100702856
N-(3-Methylbutyl)-N-(oxan-4-YL)-1-(pyridine-3-sulfonyl)piperidin-4-amine
CID 91916281
1-{[4-(Morpholin-4-ylsulfonyl)phenyl]sulfonyl}-2-(3-pyridyl)piperidine
CID 3466813
US10287305, Example 66
CID 130310140
(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane
CID 129347964

Frequently Asked Questions

What is the IUPAC name of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide (CID 100702172) is N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide is O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1cccnc1.
What is the InChIKey of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is PZJRQQKUZNAYTI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,15-4-2-8-18-12-15)19-16(13-5-9-22-10-6-13)14-3-1-7-17-11-14/h1-4,7-8,11-13,16,19H,5-6,9-10H2/t16-/m0/s1.
What are the key properties of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide?
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 100702172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).