3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

C16H16F2N2O3S2 — CID 18574889

IUPAC3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O3S2/c17-13-6-5-11(9-14(13)18)16(21)19-10-12-3-1-7-20(12)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,12H,1,3,7,10H2,(H,19,21)
InChIKeyRYVCLKGUTKFIFF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.61
Rot. Bonds5

About 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 18574889) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
PubChem CID18574889
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O3S2/c17-13-6-5-11(9-14(13)18)16(21)19-10-12-3-1-7-20(12)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,12H,1,3,7,10H2,(H,19,21)
InChIKeyRYVCLKGUTKFIFF-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (CID 18574889) is 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is O=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is RYVCLKGUTKFIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c17-13-6-5-11(9-14(13)18)16(21)19-10-12-3-1-7-20(12)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,12H,1,3,7,10H2,(H,19,21).
What are the key properties of 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 18574889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).