N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide

C18H22N2O3S — CID 91629855

IUPACN-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C18H22N2O3S/c21-24(22,14-15-5-2-1-3-6-15)20-18(16-8-11-23-12-9-16)17-7-4-10-19-13-17/h1-7,10,13,16,18,20H,8-9,11-12,14H2
InChIKeyQOFQDGMBMXHDSO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.67
Rot. Bonds6

About N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide

N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 91629855) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID91629855
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C18H22N2O3S/c21-24(22,14-15-5-2-1-3-6-15)20-18(16-8-11-23-12-9-16)17-7-4-10-19-13-17/h1-7,10,13,16,18,20H,8-9,11-12,14H2
InChIKeyQOFQDGMBMXHDSO-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((3S,4S)-4-(4-(6-fluoropyridin-3-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 16718565
N-((3S,4S)-4-(4-(5-fluoropyridin-3-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 52947618
N-((3S,4S)-4-(4-(5-fluoropyridin-2-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 52948827
1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 743635
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
N-[[3-(3-fluoro-4-pyridin-3-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide
CID 72735794
1-phenyl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]methanesulfonamide
CID 44401893
2-(Oxolan-3-yl)-1-(pyridin-3-yl)ethan-1-amine
CID 22992279
2-[2-(4-Benzylpiperidin-1-yl)sulfonylethyl]pyridine
CID 23820089
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
4-Methoxy-1-(pyridin-3-yl)butan-1-amine
CID 21156658

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide (CID 91629855) is N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is QOFQDGMBMXHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-24(22,14-15-5-2-1-3-6-15)20-18(16-8-11-23-12-9-16)17-7-4-10-19-13-17/h1-7,10,13,16,18,20H,8-9,11-12,14H2.
What are the key properties of N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide?
N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(pyridin-3-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 91629855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).