N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide

C13H11N3O3S — CID 158179549

IUPACN-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2cc(C#N)ccn2)cc1
InChIInChI=1S/C13H11N3O3S/c1-20(17,18)16-11-2-4-12(5-3-11)19-13-8-10(9-14)6-7-15-13/h2-8,16H,1H3
InChIKeyFYKIFDHRTXDBBK-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.12
Rot. Bonds4

About N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide

N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide (PubChem CID 158179549) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide
PubChem CID158179549
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2cc(C#N)ccn2)cc1
InChIInChI=1S/C13H11N3O3S/c1-20(17,18)16-11-2-4-12(5-3-11)19-13-8-10(9-14)6-7-15-13/h2-8,16H,1H3
InChIKeyFYKIFDHRTXDBBK-UHFFFAOYSA-N
XLogP2.12
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 135305160
2-(4-fluorophenoxy)pyridine-4-carbonitrile
CID 24695486
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770
2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile
CID 43243239
2-(1-methylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116792720
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312564
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122313454
4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
CID 55914039
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile
CID 118945710
2-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile
CID 118945459
[4-(methanesulfonamido)phenyl] (E)-3-(3-cyanophenyl)prop-2-enoate
CID 60528107

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide (CID 158179549) is N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Oc2cc(C#N)ccn2)cc1.
What is the InChIKey of N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide?
The InChIKey is FYKIFDHRTXDBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-20(17,18)16-11-2-4-12(5-3-11)19-13-8-10(9-14)6-7-15-13/h2-8,16H,1H3.
What are the key properties of N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide?
N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide is sourced from PubChem (CID 158179549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).