N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C18H19FN2O3S — CID 16924971

IUPACN-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-8-10-16(11-9-15)25(23,24)21-12-4-7-17(21)18(22)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)
InChIKeyVAKUFWQJGUFQDN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.30
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16924971) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16924971
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-8-10-16(11-9-15)25(23,24)21-12-4-7-17(21)18(22)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)
InChIKeyVAKUFWQJGUFQDN-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino}pentanamide
CID 10238903
Hydroxamate 23
CID 23645530
Hydroxamate 29
CID 10766622
prolyl-2,3-diaminopropionic acid (DAP) scaffold, 21
CID 23634656
N-{4-[(1S)-1-amino-2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]cyclohexyl}-2,4-difluorobenzene-1-sulfonamide
CID 23645581
Cyclohexylglycine derived inhibitor, 6
CID 23647712
(2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]formamido}-3-[(benzylcarbamoyl)amino]propanoic acid
CID 23642628
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[4-(2,5-difluorophenyl)phenyl]sulfonylpiperidin-2-yl]methanone
CID 44570763
N-[2-(4-fluorophenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2094211
2-(Benzenesulfonyl-benzyl-amino)-N-tert-butyl-acetamide
CID 2252317
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404
2-(2-fluorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2572571

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 16924971) is N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is VAKUFWQJGUFQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-8-10-16(11-9-15)25(23,24)21-12-4-7-17(21)18(22)20-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22).
What are the key properties of N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16924971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).