N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide

C21H20F2N2O3S — CID 2728400

IUPACN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H20F2N2O3S/c1-2-4-15-6-8-19(9-7-15)29(26,27)25-21-20(5-3-10-24-21)28-14-16-11-17(22)13-18(23)12-16/h3,5-13H,2,4,14H2,1H3,(H,24,25)
InChIKeyWJSUJZNZLITJRA-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.69
Rot. Bonds8

About N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide

N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide (PubChem CID 2728400) has the molecular formula C21H20F2N2O3S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide
PubChem CID2728400
Molecular FormulaC21H20F2N2O3S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H20F2N2O3S/c1-2-4-15-6-8-19(9-7-15)29(26,27)25-21-20(5-3-10-24-21)28-14-16-11-17(22)13-18(23)12-16/h3,5-13H,2,4,14H2,1H3,(H,24,25)
InChIKeyWJSUJZNZLITJRA-UHFFFAOYSA-N
XLogP4.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide (CID 2728400) is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide?
The InChIKey is WJSUJZNZLITJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3S/c1-2-4-15-6-8-19(9-7-15)29(26,27)25-21-20(5-3-10-24-21)28-14-16-11-17(22)13-18(23)12-16/h3,5-13H,2,4,14H2,1H3,(H,24,25).
What are the key properties of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide?
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide has a molecular weight of 418.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 2728400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).