3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide

C23H23Cl2N3O4S — CID 142776683

IUPAC3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cc2oc(S(=O)(=O)N3CCC(Nc4cccc(Cl)c4)CC3)cc2Cl)c1
InChIInChI=1S/C23H23Cl2N3O4S/c24-17-5-2-6-19(13-17)27-18-7-9-28(10-8-18)33(30,31)22-14-20(25)21(32-22)12-15-3-1-4-16(11-15)23(26)29/h1-6,11,13-14,18,27H,7-10,12H2,(H2,26,29)
InChIKeyNSLJHNYGHZSCMT-UHFFFAOYSA-N
MW508.43 g/mol
LogP4.54
Rot. Bonds7

About 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide

3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide (PubChem CID 142776683) has the molecular formula C23H23Cl2N3O4S and a molecular weight of 508.43 g/mol. Its IUPAC name is 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
PubChem CID142776683
Molecular FormulaC23H23Cl2N3O4S
Molecular Weight508.43 g/mol
Exact Mass507.08
IUPAC Name3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cc2oc(S(=O)(=O)N3CCC(Nc4cccc(Cl)c4)CC3)cc2Cl)c1
InChIInChI=1S/C23H23Cl2N3O4S/c24-17-5-2-6-19(13-17)27-18-7-9-28(10-8-18)33(30,31)22-14-20(25)21(32-22)12-15-3-1-4-16(11-15)23(26)29/h1-6,11,13-14,18,27H,7-10,12H2,(H2,26,29)
InChIKeyNSLJHNYGHZSCMT-UHFFFAOYSA-N
XLogP4.54
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
The IUPAC name of 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide (CID 142776683) is 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
The canonical SMILES for 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide is NC(=O)c1cccc(Cc2oc(S(=O)(=O)N3CCC(Nc4cccc(Cl)c4)CC3)cc2Cl)c1.
What is the InChIKey of 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
The InChIKey is NSLJHNYGHZSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O4S/c24-17-5-2-6-19(13-17)27-18-7-9-28(10-8-18)33(30,31)22-14-20(25)21(32-22)12-15-3-1-4-16(11-15)23(26)29/h1-6,11,13-14,18,27H,7-10,12H2,(H2,26,29).
What are the key properties of 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?
3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide has a molecular weight of 508.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide is sourced from PubChem (CID 142776683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).