4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

C28H25FN2O3S — CID 94019026

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H25FN2O3S/c1-21(23-16-18-25(29)19-17-23)30-28(32)24-14-12-22(13-15-24)20-31(26-8-4-2-5-9-26)35(33,34)27-10-6-3-7-11-27/h2-19,21H,20H2,1H3,(H,30,32)/t21-/m0/s1
InChIKeyZJZUZLNAIRZYGT-NRFANRHFSA-N
MW488.58 g/mol
LogP5.71
Rot. Bonds8

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 94019026) has the molecular formula C28H25FN2O3S and a molecular weight of 488.58 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID94019026
Molecular FormulaC28H25FN2O3S
Molecular Weight488.58 g/mol
Exact Mass488.16
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H25FN2O3S/c1-21(23-16-18-25(29)19-17-23)30-28(32)24-14-12-22(13-15-24)20-31(26-8-4-2-5-9-26)35(33,34)27-10-6-3-7-11-27/h2-19,21H,20H2,1H3,(H,30,32)/t21-/m0/s1
InChIKeyZJZUZLNAIRZYGT-NRFANRHFSA-N
XLogP5.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 92679889
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94018481
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92675281
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
CID 4239264
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53287557
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (CID 94019026) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is ZJZUZLNAIRZYGT-NRFANRHFSA-N. The full InChI is InChI=1S/C28H25FN2O3S/c1-21(23-16-18-25(29)19-17-23)30-28(32)24-14-12-22(13-15-24)20-31(26-8-4-2-5-9-26)35(33,34)27-10-6-3-7-11-27/h2-19,21H,20H2,1H3,(H,30,32)/t21-/m0/s1.
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 488.58 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 94019026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).