N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide

C22H24F2N2O3S — CID 176848233

IUPACN-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC1C(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C22H24F2N2O3S/c1-13-19(20(13)22(27)26-11-10-14(12-26)25-30(2,28)29)15-6-3-4-7-16(15)21-17(23)8-5-9-18(21)24/h3-9,13-14,19-20,25H,10-12H2,1-2H3/t13?,14-,19?,20?/m0/s1
InChIKeyIDLKOBMYAJEFNV-RIOIZVGSSA-N
MW434.51 g/mol
LogP3.13
Rot. Bonds5

About N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 176848233) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID176848233
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC1C(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C22H24F2N2O3S/c1-13-19(20(13)22(27)26-11-10-14(12-26)25-30(2,28)29)15-6-3-4-7-16(15)21-17(23)8-5-9-18(21)24/h3-9,13-14,19-20,25H,10-12H2,1-2H3/t13?,14-,19?,20?/m0/s1
InChIKeyIDLKOBMYAJEFNV-RIOIZVGSSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[2-(2,6-difluorophenyl)-4-methylphenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848225
N-[(3R)-1-[(1R,2R)-2-[4-(2,6-difluorophenyl)-2-methylthiophen-3-yl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176849086
N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
CID 176848761
N-[(3R,4S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylazepan-4-yl]methanesulfonamide
CID 176848728
N-[(3R)-1-[(1R,2R)-2-[2-(2-chlorophenyl)-6-fluorophenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848939
N-[1-[2-[2-(2,6-difluorophenyl)-6-fluorophenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848260
N-[(3S)-4-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methyl-1,4-oxazepan-6-yl]methanesulfonamide
CID 176848813
1-bromo-N-[(3S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849010
N-[(4S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)-3-fluorophenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848956
N-[(3S)-1-[(1R,2R)-2-(4-fluoro-3-methyl-2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848935
N-[1-[2-[2-(4-methylphenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848633
N-[1-[2-(2-methyl-6-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848561

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 176848233) is N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide is CC1C(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IDLKOBMYAJEFNV-RIOIZVGSSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c1-13-19(20(13)22(27)26-11-10-14(12-26)25-30(2,28)29)15-6-3-4-7-16(15)21-17(23)8-5-9-18(21)24/h3-9,13-14,19-20,25H,10-12H2,1-2H3/t13?,14-,19?,20?/m0/s1.
What are the key properties of N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-[2-(2,6-difluorophenyl)phenyl]-3-methylcyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 176848233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).