4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide

C16H17FN2O3S2 — CID 7286373

IUPAC4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S2/c17-13-7-5-12(6-8-13)16(20)18-11-14-3-1-9-19(14)24(21,22)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9,11H2,(H,18,20)/t14-/m1/s1
InChIKeyLTYOFGDYPHLCAY-CQSZACIVSA-N
MW368.46 g/mol
LogP2.47
Rot. Bonds5

About 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide

4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 7286373) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
PubChem CID7286373
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3S2/c17-13-7-5-12(6-8-13)16(20)18-11-14-3-1-9-19(14)24(21,22)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9,11H2,(H,18,20)/t14-/m1/s1
InChIKeyLTYOFGDYPHLCAY-CQSZACIVSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286421
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933
N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286403
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286397
N'-(2,2-dimethoxyethyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222980
N'-[2-(4-fluorophenyl)ethyl]-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195687
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
N'-(2-cyanophenyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222958
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
N'-(2,5-dimethylphenyl)-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286437
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
CID 18574803

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide (CID 7286373) is 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is LTYOFGDYPHLCAY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-13-7-5-12(6-8-13)16(20)18-11-14-3-1-9-19(14)24(21,22)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9,11H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide?
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 7286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).