N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide

C13H16N4O3S — CID 71810291

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccnc1
InChIInChI=1S/C13H16N4O3S/c18-21(19,13-2-1-5-14-9-13)16-11-8-15-17(10-11)12-3-6-20-7-4-12/h1-2,5,8-10,12,16H,3-4,6-7H2
InChIKeySKYAXSGEDMLSGA-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.43
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide

N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide (PubChem CID 71810291) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide
PubChem CID71810291
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccnc1
InChIInChI=1S/C13H16N4O3S/c18-21(19,13-2-1-5-14-9-13)16-11-8-15-17(10-11)12-3-6-20-7-4-12/h1-2,5,8-10,12,16H,3-4,6-7H2
InChIKeySKYAXSGEDMLSGA-UHFFFAOYSA-N
XLogP1.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
US9156811, Ddd71274
CID 57402323
2-[2-(Benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine
CID 2806210
1-methyl-N-(6-methylsulfanyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 72021800
5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 172435736
1,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 6465680
N-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyridin-3-amine
CID 53185431
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-(pyridin-3-ylsulfonyl)piperazine
CID 71783866
N-(4-{[(1-Tetrahydro-2H-pyran-4-yl-1H-pyrazol-4-yl)amino]sulfonyl}phenyl)acetamide
CID 71810289
1-methyl-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 91629862
1-(4-Fluorophenyl)-3,5-dimethyl-N-(pyridin-3-YL)-1H-pyrazole-4-sulfonamide
CID 53075786

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide (CID 71810291) is N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccnc1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide?
The InChIKey is SKYAXSGEDMLSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c18-21(19,13-2-1-5-14-9-13)16-11-8-15-17(10-11)12-3-6-20-7-4-12/h1-2,5,8-10,12,16H,3-4,6-7H2.
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 71810291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).