2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide

C20H18FN3O3S — CID 1137711

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccncc1
InChIInChI=1S/C20H18FN3O3S/c21-17-6-8-18(9-7-17)24(28(26,27)19-4-2-1-3-5-19)15-20(25)23-14-16-10-12-22-13-11-16/h1-13H,14-15H2,(H,23,25)
InChIKeyLUPXOYLGVNOSHL-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.73
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1137711) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1137711
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccncc1
InChIInChI=1S/C20H18FN3O3S/c21-17-6-8-18(9-7-17)24(28(26,27)19-4-2-1-3-5-19)15-20(25)23-14-16-10-12-22-13-11-16/h1-13H,14-15H2,(H,23,25)
InChIKeyLUPXOYLGVNOSHL-UHFFFAOYSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1318042
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 2897415
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92685437
2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 42111358
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46771883
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide (CID 1137711) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccncc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is LUPXOYLGVNOSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-17-6-8-18(9-7-17)24(28(26,27)19-4-2-1-3-5-19)15-20(25)23-14-16-10-12-22-13-11-16/h1-13H,14-15H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1137711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).