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

C18H12F4N2O3S — CID 2728423

IUPACN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H12F4N2O3S/c19-12-6-11(7-13(20)8-12)10-27-17-2-1-5-23-18(17)24-28(25,26)14-3-4-15(21)16(22)9-14/h1-9H,10H2,(H,23,24)
InChIKeyPFHSDEAMAZOUGG-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.02
Rot. Bonds6

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

N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide (PubChem CID 2728423) has the molecular formula C18H12F4N2O3S and a molecular weight of 412.36 g/mol. Its IUPAC name is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide
PubChem CID2728423
Molecular FormulaC18H12F4N2O3S
Molecular Weight412.36 g/mol
Exact Mass412.05
IUPAC NameN-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H12F4N2O3S/c19-12-6-11(7-13(20)8-12)10-27-17-2-1-5-23-18(17)24-28(25,26)14-3-4-15(21)16(22)9-14/h1-9H,10H2,(H,23,24)
InChIKeyPFHSDEAMAZOUGG-UHFFFAOYSA-N
XLogP4.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.02
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]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide (CID 2728423) is N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is PFHSDEAMAZOUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O3S/c19-12-6-11(7-13(20)8-12)10-27-17-2-1-5-23-18(17)24-28(25,26)14-3-4-15(21)16(22)9-14/h1-9H,10H2,(H,23,24).
What are the key properties of N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide?
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 412.36 g/mol, XLogP of 4.02, 6 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]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).