N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide

C23H24F2N2O3S — CID 176848720

IUPACN-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide
SMILESO=C(C1CC1c1ccccc1-c1c(F)cccc1F)N1CCC1CNS(=O)(=O)C1CC1
InChIInChI=1S/C23H24F2N2O3S/c24-20-6-3-7-21(25)22(20)17-5-2-1-4-16(17)18-12-19(18)23(28)27-11-10-14(27)13-26-31(29,30)15-8-9-15/h1-7,14-15,18-19,26H,8-13H2
InChIKeyPOHOPYMLRWKSBC-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.42
Rot. Bonds7

About N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide

N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide (PubChem CID 176848720) has the molecular formula C23H24F2N2O3S and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide
PubChem CID176848720
Molecular FormulaC23H24F2N2O3S
Molecular Weight446.52 g/mol
Exact Mass446.15
IUPAC NameN-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide
SMILESO=C(C1CC1c1ccccc1-c1c(F)cccc1F)N1CCC1CNS(=O)(=O)C1CC1
InChIInChI=1S/C23H24F2N2O3S/c24-20-6-3-7-21(25)22(20)17-5-2-1-4-16(17)18-12-19(18)23(28)27-11-10-14(27)13-26-31(29,30)15-8-9-15/h1-7,14-15,18-19,26H,8-13H2
InChIKeyPOHOPYMLRWKSBC-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-2-[(sulfinamoylamino)methyl]azetidine
CID 170293937
N-[1-[1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethyl]ethanesulfonamide
CID 174141718
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
CID 176849170
N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
CID 176848761
1-bromo-N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849010
N-[(3R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]methanesulfonamide
CID 176849050
N-[(1R,5S)-3-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanesulfonamide
CID 176848998
(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
CID 169240002
[2-[(2R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]ethynylamino]-methyl-oxidosulfanium
CID 174141721
N-[(3R,4S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylazepan-4-yl]methanesulfonamide
CID 176848728
N-[(3S)-4-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methyl-1,4-oxazepan-6-yl]methanesulfonamide
CID 176848813
[2-[(azetidin-1-ylsulfanylamino)methyl]morpholin-4-yl]-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
CID 169240216

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide (CID 176848720) is N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide is O=C(C1CC1c1ccccc1-c1c(F)cccc1F)N1CCC1CNS(=O)(=O)C1CC1.
What is the InChIKey of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide?
The InChIKey is POHOPYMLRWKSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3S/c24-20-6-3-7-21(25)22(20)17-5-2-1-4-16(17)18-12-19(18)23(28)27-11-10-14(27)13-26-31(29,30)15-8-9-15/h1-7,14-15,18-19,26H,8-13H2.
What are the key properties of N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide?
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide has a molecular weight of 446.52 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]azetidin-2-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 176848720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).