N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide

C19H20F2N2O3S — CID 42907504

IUPACN-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H20F2N2O3S/c20-19(21)27(25,26)17-8-6-15(7-9-17)18(24)22-16-10-11-23(13-16)12-14-4-2-1-3-5-14/h1-9,16,19H,10-13H2,(H,22,24)
InChIKeyIXUUGYLPPLAYAH-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.69
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide

N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide (PubChem CID 42907504) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
PubChem CID42907504
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H20F2N2O3S/c20-19(21)27(25,26)17-8-6-15(7-9-17)18(24)22-16-10-11-23(13-16)12-14-4-2-1-3-5-14/h1-9,16,19H,10-13H2,(H,22,24)
InChIKeyIXUUGYLPPLAYAH-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 24513186
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
CID 41202634
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide (CID 42907504) is N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide is O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is IXUUGYLPPLAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c20-19(21)27(25,26)17-8-6-15(7-9-17)18(24)22-16-10-11-23(13-16)12-14-4-2-1-3-5-14/h1-9,16,19H,10-13H2,(H,22,24).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide?
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 394.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 42907504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).