4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C21H19FN2O4S — CID 9156809

IUPAC4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19FN2O4S/c1-28-18-8-10-19(11-9-18)29(26,27)20(16-3-2-12-23-13-16)14-24-21(25)15-4-6-17(22)7-5-15/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyXRFFUHOGGVALKW-HXUWFJFHSA-N
MW414.46 g/mol
LogP3.17
Rot. Bonds7

About 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 9156809) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID9156809
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19FN2O4S/c1-28-18-8-10-19(11-9-18)29(26,27)20(16-3-2-12-23-13-16)14-24-21(25)15-4-6-17(22)7-5-15/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyXRFFUHOGGVALKW-HXUWFJFHSA-N
XLogP3.17
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 9156809) is 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is XRFFUHOGGVALKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-28-18-8-10-19(11-9-18)29(26,27)20(16-3-2-12-23-13-16)14-24-21(25)15-4-6-17(22)7-5-15/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 9156809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).