4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide

C23H23Cl2N3O4S — CID 57443922

IUPAC4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N3O4S/c24-17-3-1-16(2-4-17)23(29)26-15-21-9-10-22(32-21)33(30,31)28-13-11-20(12-14-28)27-19-7-5-18(25)6-8-19/h1-10,20,27H,11-15H2,(H,26,29)
InChIKeyXVUHXWCAMOYWOY-UHFFFAOYSA-N
MW508.43 g/mol
LogP4.78
Rot. Bonds7

About 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide (PubChem CID 57443922) has the molecular formula C23H23Cl2N3O4S and a molecular weight of 508.43 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
PubChem CID57443922
Molecular FormulaC23H23Cl2N3O4S
Molecular Weight508.43 g/mol
Exact Mass507.08
IUPAC Name4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N3O4S/c24-17-3-1-16(2-4-17)23(29)26-15-21-9-10-22(32-21)33(30,31)28-13-11-20(12-14-28)27-19-7-5-18(25)6-8-19/h1-10,20,27H,11-15H2,(H,26,29)
InChIKeyXVUHXWCAMOYWOY-UHFFFAOYSA-N
XLogP4.78
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-[4-(3-nitroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
CID 57443919
benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
CID 70093093
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
N-[[5-[4-(1-adamantylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 10281216
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076
4-chloro-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161299912
4-chloro-N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10301851
acetonitrile;N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 69025617
N-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide
CID 57443842
N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159352689

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide (CID 57443922) is 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
The InChIKey is XVUHXWCAMOYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O4S/c24-17-3-1-16(2-4-17)23(29)26-15-21-9-10-22(32-21)33(30,31)28-13-11-20(12-14-28)27-19-7-5-18(25)6-8-19/h1-10,20,27H,11-15H2,(H,26,29).
What are the key properties of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide has a molecular weight of 508.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide is sourced from PubChem (CID 57443922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).