4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide

C19H16FNO3S2 — CID 44649058

IUPAC4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO3S2/c20-16-10-8-15(9-11-16)19(22)21-13-17(14-5-2-1-3-6-14)26(23,24)18-7-4-12-25-18/h1-12,17H,13H2,(H,21,22)
InChIKeySJBDIVAHXPLIKW-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.83
Rot. Bonds6

About 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide

4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide (PubChem CID 44649058) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
PubChem CID44649058
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC Name4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO3S2/c20-16-10-8-15(9-11-16)19(22)21-13-17(14-5-2-1-3-6-14)26(23,24)18-7-4-12-25-18/h1-12,17H,13H2,(H,21,22)
InChIKeySJBDIVAHXPLIKW-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9182290
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 9168936
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide (CID 44649058) is 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide is O=C(NCC(c1ccccc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide?
The InChIKey is SJBDIVAHXPLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c20-16-10-8-15(9-11-16)19(22)21-13-17(14-5-2-1-3-6-14)26(23,24)18-7-4-12-25-18/h1-12,17H,13H2,(H,21,22).
What are the key properties of 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide?
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide has a molecular weight of 389.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide is sourced from PubChem (CID 44649058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).