(E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide

C19H22N2O3S — CID 91629842

IUPAC(E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C19H22N2O3S/c22-25(23,14-10-16-5-2-1-3-6-16)21-19(17-8-12-24-13-9-17)18-7-4-11-20-15-18/h1-7,10-11,14-15,17,19,21H,8-9,12-13H2/b14-10+
InChIKeyWUBMKGGWOUQZGD-GXDHUFHOSA-N
MW358.46 g/mol
LogP3.14
Rot. Bonds6

About (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide

(E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide (PubChem CID 91629842) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide
PubChem CID91629842
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C19H22N2O3S/c22-25(23,14-10-16-5-2-1-3-6-16)21-19(17-8-12-24-13-9-17)18-7-4-11-20-15-18/h1-7,10-11,14-15,17,19,21H,8-9,12-13H2/b14-10+
InChIKeyWUBMKGGWOUQZGD-GXDHUFHOSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.14
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
N-[[3-(3-fluoro-4-pyridin-3-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propane-2-sulfonamide
CID 72735794
(E)-2-phenyl-N-(2-pyridin-2-ylethyl)ethenesulfonamide
CID 2103374
2-(Oxolan-3-yl)-1-(pyridin-3-yl)ethan-1-amine
CID 22992279
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
3-(Oxolan-2-yl)-1-(pyridin-3-yl)propan-1-amine
CID 65167076
N-(2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)ethanesulfonamide
CID 16815200
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)pyridine-3-sulfonamide
CID 45561177

Frequently Asked Questions

What is the IUPAC name of (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide (CID 91629842) is (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide?
The InChIKey is WUBMKGGWOUQZGD-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-25(23,14-10-16-5-2-1-3-6-16)21-19(17-8-12-24-13-9-17)18-7-4-11-20-15-18/h1-7,10-11,14-15,17,19,21H,8-9,12-13H2/b14-10+.
What are the key properties of (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide?
(E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[oxan-4-yl(pyridin-3-yl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 91629842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).