N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide

C17H25FN2O3S — CID 71784612

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C17H25FN2O3S/c1-2-3-10-24(22,23)19-13-16(20-9-5-8-17(20)21)12-14-6-4-7-15(18)11-14/h4,6-7,11,16,19H,2-3,5,8-10,12-13H2,1H3
InChIKeyWGBBVRBZOOOCTR-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.08
Rot. Bonds9

About N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide (PubChem CID 71784612) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide
PubChem CID71784612
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C17H25FN2O3S/c1-2-3-10-24(22,23)19-13-16(20-9-5-8-17(20)21)12-14-6-4-7-15(18)11-14/h4,6-7,11,16,19H,2-3,5,8-10,12-13H2,1H3
InChIKeyWGBBVRBZOOOCTR-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide (CID 71784612) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
The InChIKey is WGBBVRBZOOOCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-2-3-10-24(22,23)19-13-16(20-9-5-8-17(20)21)12-14-6-4-7-15(18)11-14/h4,6-7,11,16,19H,2-3,5,8-10,12-13H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 71784612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).