N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide

C26H20FN3O4S — CID 23217908

IUPACN-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(COc2nc(-c3ccc(F)cc3)c(NS(=O)(=O)c3ccccc3)cc2C#N)cc1
InChIInChI=1S/C26H20FN3O4S/c1-33-22-13-7-18(8-14-22)17-34-26-20(16-28)15-24(25(29-26)19-9-11-21(27)12-10-19)30-35(31,32)23-5-3-2-4-6-23/h2-15,30H,17H2,1H3
InChIKeyDRPOGPYNXYGPTR-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.15
Rot. Bonds8

About N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide

N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 23217908) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID23217908
Molecular FormulaC26H20FN3O4S
Molecular Weight489.53 g/mol
Exact Mass489.12
IUPAC NameN-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(COc2nc(-c3ccc(F)cc3)c(NS(=O)(=O)c3ccccc3)cc2C#N)cc1
InChIInChI=1S/C26H20FN3O4S/c1-33-22-13-7-18(8-14-22)17-34-26-20(16-28)15-24(25(29-26)19-9-11-21(27)12-10-19)30-35(31,32)23-5-3-2-4-6-23/h2-15,30H,17H2,1H3
InChIKeyDRPOGPYNXYGPTR-UHFFFAOYSA-N
XLogP5.15
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,4'-[(3-{[(4-Fluorophenyl)sulfonyl]amino}pyridine-2,6-Diyl)bis(Oxy)]dibenzenecarboximidamide
CID 49820499
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]-4-fluorobenzenesulfonamide
CID 71654940
4-[[6-(4-Carbamimidoylphenoxy)-5-[(3,5-difluorophenyl)sulfonylamino]-2-pyridinyl]oxy]benzenecarboximidamide
CID 49820654
4-methoxy-N-[2-(4-phenylmethoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 154631937
[Amino-[4-[[6-[4-[amino(azaniumylidene)methyl]phenoxy]-3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]phenyl]methylidene]azanium
CID 117071845
3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide
CID 166629893
N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide
CID 166632211
4-[5-Cyano-2-(4-fluorophenyl)-6-pentoxy-3-pyridinyl]benzenesulfonamide
CID 21476795
N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide
CID 23217893
N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217903
Butyl 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetate
CID 23217909
N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217928

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide (CID 23217908) is N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide is COc1ccc(COc2nc(-c3ccc(F)cc3)c(NS(=O)(=O)c3ccccc3)cc2C#N)cc1.
What is the InChIKey of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is DRPOGPYNXYGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c1-33-22-13-7-18(8-14-22)17-34-26-20(16-28)15-24(25(29-26)19-9-11-21(27)12-10-19)30-35(31,32)23-5-3-2-4-6-23/h2-15,30H,17H2,1H3.
What are the key properties of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 489.53 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(4-fluorophenyl)-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).