N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

C15H15FN2O3S2 — CID 16919684

IUPACN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S2/c16-12-3-5-13(6-4-12)18-10-11(8-14(18)19)9-17-23(20,21)15-2-1-7-22-15/h1-7,11,17H,8-10H2
InChIKeyCAMLJZBIWWZFCL-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.22
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 16919684) has the molecular formula C15H15FN2O3S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID16919684
Molecular FormulaC15H15FN2O3S2
Molecular Weight354.43 g/mol
Exact Mass354.05
IUPAC NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S2/c16-12-3-5-13(6-4-12)18-10-11(8-14(18)19)9-17-23(20,21)15-2-1-7-22-15/h1-7,11,17H,8-10H2
InChIKeyCAMLJZBIWWZFCL-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
2-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912170
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919671
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
1-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40913216
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-nitrobenzenesulfonamide
CID 16919680
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40912181

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide (CID 16919684) is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is O=C1CC(CNS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is CAMLJZBIWWZFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S2/c16-12-3-5-13(6-4-12)18-10-11(8-14(18)19)9-17-23(20,21)15-2-1-7-22-15/h1-7,11,17H,8-10H2.
What are the key properties of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16919684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).