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

C19H16F2N2O4S — CID 2728397

IUPACN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C19H16F2N2O4S/c1-26-16-4-6-17(7-5-16)28(24,25)23-19-18(3-2-8-22-19)27-12-13-9-14(20)11-15(21)10-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyDMOJWHINOJKAMU-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.75
Rot. Bonds7

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

N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 2728397) has the molecular formula C19H16F2N2O4S and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID2728397
Molecular FormulaC19H16F2N2O4S
Molecular Weight406.41 g/mol
Exact Mass406.08
IUPAC NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C19H16F2N2O4S/c1-26-16-4-6-17(7-5-16)28(24,25)23-19-18(3-2-8-22-19)27-12-13-9-14(20)11-15(21)10-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyDMOJWHINOJKAMU-UHFFFAOYSA-N
XLogP3.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide (CID 2728397) is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncccc2OCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is DMOJWHINOJKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4S/c1-26-16-4-6-17(7-5-16)28(24,25)23-19-18(3-2-8-22-19)27-12-13-9-14(20)11-15(21)10-13/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide?
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 406.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2728397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).