N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide

C22H21FN2O3S — CID 21007618

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2C)c2cccnc2)ccc1F
InChIInChI=1S/C22H21FN2O3S/c1-15-6-3-4-8-19(15)22(26)25-14-21(17-7-5-11-24-13-17)29(27,28)18-9-10-20(23)16(2)12-18/h3-13,21H,14H2,1-2H3,(H,25,26)
InChIKeyFHWDXOHTMXCGPQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide (PubChem CID 21007618) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
PubChem CID21007618
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2C)c2cccnc2)ccc1F
InChIInChI=1S/C22H21FN2O3S/c1-15-6-3-4-8-19(15)22(26)25-14-21(17-7-5-11-24-13-17)29(27,28)18-9-10-20(23)16(2)12-18/h3-13,21H,14H2,1-2H3,(H,25,26)
InChIKeyFHWDXOHTMXCGPQ-UHFFFAOYSA-N
XLogP3.78
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
CID 70690881
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-ethyl-9,10,10-trioxo-N-(pyridin-4-ylmethyl)thioxanthene-3-carboxamide
CID 4626397
4-(Benzyl-methanesulfonyl-amino)-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2262896
N-Diaminomethylene-2-methyl-4-(4-pyridylthio)-5-methylsulfonylbenzamide
CID 9950952
(S)-4-Methylsulfanyl-2-{[5-(pyridine-3-sulfonylmethyl)-biphenyl-2-carbonyl]-amino}-butyric acid
CID 10719665
2-methyl-5-{[3-(methylsulfonyl)benzoyl]amino}-N-pyridin-3-ylbenzamide
CID 44571870
4-phenyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
CID 45104340
4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50912990
N-(4-(phenylsulfonyl)benzyl)isoquinoline-7-carboxamide
CID 66609743

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide (CID 21007618) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide is Cc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2C)c2cccnc2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide?
The InChIKey is FHWDXOHTMXCGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-15-6-3-4-8-19(15)22(26)25-14-21(17-7-5-11-24-13-17)29(27,28)18-9-10-20(23)16(2)12-18/h3-13,21H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 21007618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).