4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide

C20H17N3O4S — CID 55914039

IUPAC4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(C#N)cc3)ccn2)cc1
InChIInChI=1S/C20H17N3O4S/c1-26-17-4-6-18(7-5-17)27-20-12-16(10-11-22-20)14-23-28(24,25)19-8-2-15(13-21)3-9-19/h2-12,23H,14H2,1H3
InChIKeyAQXBGGIEQDWMIY-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.23
Rot. Bonds7

About 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide

4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 55914039) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID55914039
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(C#N)cc3)ccn2)cc1
InChIInChI=1S/C20H17N3O4S/c1-26-17-4-6-18(7-5-17)27-20-12-16(10-11-22-20)14-23-28(24,25)19-8-2-15(13-21)3-9-19/h2-12,23H,14H2,1H3
InChIKeyAQXBGGIEQDWMIY-UHFFFAOYSA-N
XLogP3.23
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55913266
4-cyano-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 47065017
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62321833
4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 34113136
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile
CID 60507745
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide (CID 55914039) is 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide is COc1ccc(Oc2cc(CNS(=O)(=O)c3ccc(C#N)cc3)ccn2)cc1.
What is the InChIKey of 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is AQXBGGIEQDWMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-26-17-4-6-18(7-5-17)27-20-12-16(10-11-22-20)14-23-28(24,25)19-8-2-15(13-21)3-9-19/h2-12,23H,14H2,1H3.
What are the key properties of 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide?
4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55914039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).