2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide

C21H18F2N2O3S — CID 31254367

IUPAC2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C21H18F2N2O3S/c22-17-8-6-9-18(13-17)25(29(27,28)19-10-2-1-3-11-19)15-21(26)24-14-16-7-4-5-12-20(16)23/h1-13H,14-15H2,(H,24,26)
InChIKeyKINCVQZYFRXXHV-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.48
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 31254367) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID31254367
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1F
InChIInChI=1S/C21H18F2N2O3S/c22-17-8-6-9-18(13-17)25(29(27,28)19-10-2-1-3-11-19)15-21(26)24-14-16-7-4-5-12-20(16)23/h1-13H,14-15H2,(H,24,26)
InChIKeyKINCVQZYFRXXHV-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30273782
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
3-[[[2-(3-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]benzoic acid
CID 58009575
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
N-[(2-fluorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53280530
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 43901392
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide (CID 31254367) is 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide is O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1F.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is KINCVQZYFRXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c22-17-8-6-9-18(13-17)25(29(27,28)19-10-2-1-3-11-19)15-21(26)24-14-16-7-4-5-12-20(16)23/h1-13H,14-15H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 416.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 31254367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).