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

C16H17FN2O3S2 — CID 18574879

IUPAC2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S2/c17-14-7-2-1-6-13(14)16(20)18-11-12-5-3-9-19(12)24(21,22)15-8-4-10-23-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,18,20)
InChIKeyABOOMHCZZLXFSO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.47
Rot. Bonds5

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

2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 18574879) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
PubChem CID18574879
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Name2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S2/c17-14-7-2-1-6-13(14)16(20)18-11-12-5-3-9-19(12)24(21,22)15-8-4-10-23-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,18,20)
InChIKeyABOOMHCZZLXFSO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (CID 18574879) is 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is O=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is ABOOMHCZZLXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-14-7-2-1-6-13(14)16(20)18-11-12-5-3-9-19(12)24(21,22)15-8-4-10-23-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,18,20).
What are the key properties of 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
2-fluoro-N-[(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 2-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 18574879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).