N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide

C21H19FN2O3S — CID 21002113

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-18-8-10-19(11-9-18)28(26,27)20(17-7-4-12-23-14-17)15-24-21(25)13-16-5-2-1-3-6-16/h1-12,14,20H,13,15H2,(H,24,25)
InChIKeyBJHGLYHQGFYCLQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.09
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide

N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide (PubChem CID 21002113) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
PubChem CID21002113
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-18-8-10-19(11-9-18)28(26,27)20(17-7-4-12-23-14-17)15-24-21(25)13-16-5-2-1-3-6-16/h1-12,14,20H,13,15H2,(H,24,25)
InChIKeyBJHGLYHQGFYCLQ-UHFFFAOYSA-N
XLogP3.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9155700
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide (CID 21002113) is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide?
The InChIKey is BJHGLYHQGFYCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-18-8-10-19(11-9-18)28(26,27)20(17-7-4-12-23-14-17)15-24-21(25)13-16-5-2-1-3-6-16/h1-12,14,20H,13,15H2,(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide?
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide has a molecular weight of 398.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide is sourced from PubChem (CID 21002113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).