2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide

C20H18FN3O3S — CID 24639279

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C20H18FN3O3S/c1-14(15-10-12-22-13-11-15)23-20(25)18-4-2-3-5-19(18)24-28(26,27)17-8-6-16(21)7-9-17/h2-14,24H,1H3,(H,23,25)
InChIKeyJFLJUDJBRZJDFR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.51
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 24639279) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID24639279
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C20H18FN3O3S/c1-14(15-10-12-22-13-11-15)23-20(25)18-4-2-3-5-19(18)24-28(26,27)17-8-6-16(21)7-9-17/h2-14,24H,1H3,(H,23,25)
InChIKeyJFLJUDJBRZJDFR-UHFFFAOYSA-N
XLogP3.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24683122
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide (CID 24639279) is 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is JFLJUDJBRZJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-14(15-10-12-22-13-11-15)23-20(25)18-4-2-3-5-19(18)24-28(26,27)17-8-6-16(21)7-9-17/h2-14,24H,1H3,(H,23,25).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 24639279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).