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

C20H17FN2O3S — CID 9155547

IUPACN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-17-8-10-18(11-9-17)27(25,26)19(16-7-4-12-22-13-16)14-23-20(24)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,23,24)/t19-/m1/s1
InChIKeyZECKZUAQLSFURQ-LJQANCHMSA-N
MW384.43 g/mol
LogP3.17
Rot. Bonds6

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

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 9155547) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID9155547
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-17-8-10-18(11-9-17)27(25,26)19(16-7-4-12-22-13-16)14-23-20(24)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,23,24)/t19-/m1/s1
InChIKeyZECKZUAQLSFURQ-LJQANCHMSA-N
XLogP3.17
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
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-phenylacetamide
CID 21002113
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
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-methoxybenzamide
CID 21002101
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 9155547) is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is ZECKZUAQLSFURQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-17-8-10-18(11-9-17)27(25,26)19(16-7-4-12-22-13-16)14-23-20(24)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 9155547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).