4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

C17H17FN2O3S — CID 934461

IUPAC4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-5-9-16(10-6-14)24(22,23)19-12-13-3-7-15(8-4-13)20-11-1-2-17(20)21/h3-10,19H,1-2,11-12H2
InChIKeyIMYIRANBERJJSY-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.43
Rot. Bonds5

About 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 934461) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID934461
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-5-9-16(10-6-14)24(22,23)19-12-13-3-7-15(8-4-13)20-11-1-2-17(20)21/h3-10,19H,1-2,11-12H2
InChIKeyIMYIRANBERJJSY-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 934461) is 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is IMYIRANBERJJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-5-9-16(10-6-14)24(22,23)19-12-13-3-7-15(8-4-13)20-11-1-2-17(20)21/h3-10,19H,1-2,11-12H2.
What are the key properties of 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 934461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).