N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide

C16H21FN2O3S — CID 97039412

IUPACN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide
SMILESO=C1CCCN1[C@H](CNS(=O)(=O)C1CC1)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2O3S/c17-13-4-1-3-12(9-13)10-14(19-8-2-5-16(19)20)11-18-23(21,22)15-6-7-15/h1,3-4,9,14-15,18H,2,5-8,10-11H2/t14-/m0/s1
InChIKeyNSNKHFLUTYMWSV-AWEZNQCLSA-N
MW340.42 g/mol
LogP1.44
Rot. Bonds7

About N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide

N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide (PubChem CID 97039412) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide
PubChem CID97039412
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide
SMILESO=C1CCCN1[C@H](CNS(=O)(=O)C1CC1)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2O3S/c17-13-4-1-3-12(9-13)10-14(19-8-2-5-16(19)20)11-18-23(21,22)15-6-7-15/h1,3-4,9,14-15,18H,2,5-8,10-11H2/t14-/m0/s1
InChIKeyNSNKHFLUTYMWSV-AWEZNQCLSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide (CID 97039412) is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide is O=C1CCCN1[C@H](CNS(=O)(=O)C1CC1)Cc1cccc(F)c1.
What is the InChIKey of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide?
The InChIKey is NSNKHFLUTYMWSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-13-4-1-3-12(9-13)10-14(19-8-2-5-16(19)20)11-18-23(21,22)15-6-7-15/h1,3-4,9,14-15,18H,2,5-8,10-11H2/t14-/m0/s1.
What are the key properties of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide?
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide has a molecular weight of 340.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]cyclopropanesulfonamide is sourced from PubChem (CID 97039412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).