N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide

C24H29Cl2N3O4S — CID 23102749

IUPACN-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide
SMILESCc1c(Cl)ccc(OC2CCN(C3CCN(S(=O)(=O)NC(=O)c4ccccc4)CC3)CC2)c1Cl
InChIInChI=1S/C24H29Cl2N3O4S/c1-17-21(25)7-8-22(23(17)26)33-20-11-13-28(14-12-20)19-9-15-29(16-10-19)34(31,32)27-24(30)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3,(H,27,30)
InChIKeyDJGWTFPDOGEBKS-UHFFFAOYSA-N
MW526.49 g/mol
LogP4.28
Rot. Bonds6

About N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide

N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide (PubChem CID 23102749) has the molecular formula C24H29Cl2N3O4S and a molecular weight of 526.49 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide
PubChem CID23102749
Molecular FormulaC24H29Cl2N3O4S
Molecular Weight526.49 g/mol
Exact Mass525.13
IUPAC NameN-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide
SMILESCc1c(Cl)ccc(OC2CCN(C3CCN(S(=O)(=O)NC(=O)c4ccccc4)CC3)CC2)c1Cl
InChIInChI=1S/C24H29Cl2N3O4S/c1-17-21(25)7-8-22(23(17)26)33-20-11-13-28(14-12-20)19-9-15-29(16-10-19)34(31,32)27-24(30)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3,(H,27,30)
InChIKeyDJGWTFPDOGEBKS-UHFFFAOYSA-N
XLogP4.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide 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 N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide (CID 23102749) is N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide is Cc1c(Cl)ccc(OC2CCN(C3CCN(S(=O)(=O)NC(=O)c4ccccc4)CC3)CC2)c1Cl.
What is the InChIKey of N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide?
The InChIKey is DJGWTFPDOGEBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O4S/c1-17-21(25)7-8-22(23(17)26)33-20-11-13-28(14-12-20)19-9-15-29(16-10-19)34(31,32)27-24(30)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide?
N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide has a molecular weight of 526.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 23102749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).