N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide

C22H24F2N2O3S — CID 137460857

IUPACN-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2CC2(F)F)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H24F2N2O3S/c1-30(28,29)25-19-10-11-26(21(27)18-14-22(18,23)24)20(19)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12,18-20,25H,10-11,13-14H2,1H3
InChIKeyRECXUDLELIPURX-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 137460857) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID137460857
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2CC2(F)F)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H24F2N2O3S/c1-30(28,29)25-19-10-11-26(21(27)18-14-22(18,23)24)20(19)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12,18-20,25H,10-11,13-14H2,1H3
InChIKeyRECXUDLELIPURX-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oveporexton
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Firazorexton
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2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 44399674
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 45272682
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-N-cyclopropyl-1,1,1-trifluoromethanesulfonamide
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N-[[(2S,3aS,7aS)-1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methyl]methanesulfonamide
CID 118722422
N-((3R,4R)-1-methyl-4-(3''-(trifluoromethyl)biphenyl-4-yl)pyrrolidin-3-yl)propane-2-sulfonamide
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N-(3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl)methanesulfonamide
CID 71784608
N-[3-(3-Fluorophenyl)-2-(2-oxopyrrolidin-1-YL)propyl]cyclopropanesulfonamide
CID 71784613
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 137460857) is N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)C2CC2(F)F)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RECXUDLELIPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c1-30(28,29)25-19-10-11-26(21(27)18-14-22(18,23)24)20(19)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12,18-20,25H,10-11,13-14H2,1H3.
What are the key properties of N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137460857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).