N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

C22H23F2N3O4S — CID 72548735

IUPACN-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCNc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O4S/c1-4-25-19-12-22(28)27(3)13-17(19)16-11-15(26-32(29,30)5-2)7-9-20(16)31-21-8-6-14(23)10-18(21)24/h6-13,25-26H,4-5H2,1-3H3
InChIKeyNYDNHHGQMFJRTF-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.32
Rot. Bonds8

About N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (PubChem CID 72548735) has the molecular formula C22H23F2N3O4S and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
PubChem CID72548735
Molecular FormulaC22H23F2N3O4S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCNc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O4S/c1-4-25-19-12-22(28)27(3)13-17(19)16-11-15(26-32(29,30)5-2)7-9-20(16)31-21-8-6-14(23)10-18(21)24/h6-13,25-26H,4-5H2,1-3H3
InChIKeyNYDNHHGQMFJRTF-UHFFFAOYSA-N
XLogP4.32
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (CID 72548735) is N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is CCNc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The InChIKey is NYDNHHGQMFJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S/c1-4-25-19-12-22(28)27(3)13-17(19)16-11-15(26-32(29,30)5-2)7-9-20(16)31-21-8-6-14(23)10-18(21)24/h6-13,25-26H,4-5H2,1-3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide has a molecular weight of 463.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 72548735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).