N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide

C19H17F2N3O3S — CID 71543079

IUPACN-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3cc(F)cc(F)c3)nc2C)c1
InChIInChI=1S/C19H17F2N3O3S/c1-3-28(26,27)23-16-6-4-5-13(7-16)18-11-19(25)24(22-12(18)2)17-9-14(20)8-15(21)10-17/h4-11,23H,3H2,1-2H3
InChIKeyVLOGHRLKRVAFMS-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.25
Rot. Bonds5

About N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide

N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide (PubChem CID 71543079) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
PubChem CID71543079
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3cc(F)cc(F)c3)nc2C)c1
InChIInChI=1S/C19H17F2N3O3S/c1-3-28(26,27)23-16-6-4-5-13(7-16)18-11-19(25)24(22-12(18)2)17-9-14(20)8-15(21)10-17/h4-11,23H,3H2,1-2H3
InChIKeyVLOGHRLKRVAFMS-UHFFFAOYSA-N
XLogP3.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide (CID 71543079) is N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3cc(F)cc(F)c3)nc2C)c1.
What is the InChIKey of N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide?
The InChIKey is VLOGHRLKRVAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c1-3-28(26,27)23-16-6-4-5-13(7-16)18-11-19(25)24(22-12(18)2)17-9-14(20)8-15(21)10-17/h4-11,23H,3H2,1-2H3.
What are the key properties of N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide?
N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide has a molecular weight of 405.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 71543079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).