N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide

C16H19FN2O4S — CID 46948621

IUPACN-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H19FN2O4S/c1-16(15(21)18-24(22,23)11-6-7-11)8-9-19(10-16)14(20)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H,18,21)
InChIKeyBJFRYRYAPOVEPY-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.29
Rot. Bonds4

About N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide

N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 46948621) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID46948621
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC NameN-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H19FN2O4S/c1-16(15(21)18-24(22,23)11-6-7-11)8-9-19(10-16)14(20)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H,18,21)
InChIKeyBJFRYRYAPOVEPY-UHFFFAOYSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7423345
4-(dimethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 7997032
N-cyclopropylsulfonyl-3-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 49790252
1-(2,3-dimethylbenzoyl)-3-methyl-N-propylsulfonylpyrrolidine-3-carboxamide
CID 49791432
1-(3-chloro-4-fluorobenzoyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 49795679
3-methyl-N-propylsulfonyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide
CID 49795788
N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 7423207
N-(2-(N-(4-fluorobenzyl)sulfamoyl)ethyl)benzamide
CID 7423252
N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 46948108
N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide
CID 46948681
N-cyclopropylsulfonyl-3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 49778237
1-benzoyl-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 49778327

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide (CID 46948621) is N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is BJFRYRYAPOVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c1-16(15(21)18-24(22,23)11-6-7-11)8-9-19(10-16)14(20)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H,18,21).
What are the key properties of N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide?
N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-(2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46948621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).