N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide

C14H20FN3O3S — CID 51108800

IUPACN-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C14H20FN3O3S/c1-2-9-22(20,21)17-11-7-8-18(10-11)14(19)16-13-6-4-3-5-12(13)15/h3-6,11,17H,2,7-10H2,1H3,(H,16,19)
InChIKeyKHJYURZNLNYEHQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds5

About N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide

N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide (PubChem CID 51108800) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
PubChem CID51108800
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C14H20FN3O3S/c1-2-9-22(20,21)17-11-7-8-18(10-11)14(19)16-13-6-4-3-5-12(13)15/h3-6,11,17H,2,7-10H2,1H3,(H,16,19)
InChIKeyKHJYURZNLNYEHQ-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide (CID 51108800) is N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide is CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
The InChIKey is KHJYURZNLNYEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-2-9-22(20,21)17-11-7-8-18(10-11)14(19)16-13-6-4-3-5-12(13)15/h3-6,11,17H,2,7-10H2,1H3,(H,16,19).
What are the key properties of N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51108800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).