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

C20H16F2N2O3S — CID 9155660

IUPAC2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C20H16F2N2O3S/c21-15-7-9-16(10-8-15)28(26,27)19(14-4-3-11-23-12-14)13-24-20(25)17-5-1-2-6-18(17)22/h1-12,19H,13H2,(H,24,25)/t19-/m0/s1
InChIKeyOITZSGRGBFNZII-IBGZPJMESA-N
MW402.42 g/mol
LogP3.30
Rot. Bonds6

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

2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 9155660) has the molecular formula C20H16F2N2O3S and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID9155660
Molecular FormulaC20H16F2N2O3S
Molecular Weight402.42 g/mol
Exact Mass402.08
IUPAC Name2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C20H16F2N2O3S/c21-15-7-9-16(10-8-15)28(26,27)19(14-4-3-11-23-12-14)13-24-20(25)17-5-1-2-6-18(17)22/h1-12,19H,13H2,(H,24,25)/t19-/m0/s1
InChIKeyOITZSGRGBFNZII-IBGZPJMESA-N
XLogP3.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.30
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
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
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-phenylacetamide
CID 21002113
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 21002091
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 16957784

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 9155660) is 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is OITZSGRGBFNZII-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16F2N2O3S/c21-15-7-9-16(10-8-15)28(26,27)19(14-4-3-11-23-12-14)13-24-20(25)17-5-1-2-6-18(17)22/h1-12,19H,13H2,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 402.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 9155660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).