N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C21H19FN2O3S — CID 4240741

IUPACN-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C21H19FN2O3S/c22-18-11-13-20(14-12-18)28(26,27)24(19-9-5-2-6-10-19)16-21(25)23-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,25)
InChIKeyQWTXTNUFLMHUBW-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.34
Rot. Bonds7

About N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 4240741) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID4240741
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C21H19FN2O3S/c22-18-11-13-20(14-12-18)28(26,27)24(19-9-5-2-6-10-19)16-21(25)23-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,25)
InChIKeyQWTXTNUFLMHUBW-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
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
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43898709
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 4240741) is N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is QWTXTNUFLMHUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-18-11-13-20(14-12-18)28(26,27)24(19-9-5-2-6-10-19)16-21(25)23-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,25).
What are the key properties of N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 4240741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).