3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide

C27H34Cl2FN3O3S — CID 44533724

IUPAC3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H34Cl2FN3O3S/c28-25-10-4-22(20-26(25)29)5-11-27(34)31-15-2-1-3-17-33-18-13-21(14-19-33)12-16-32-37(35,36)24-8-6-23(30)7-9-24/h4-11,20-21,32H,1-3,12-19H2,(H,31,34)
InChIKeyCVHFRZGHFAJTMH-UHFFFAOYSA-N
MW570.56 g/mol
LogP5.51
Rot. Bonds13

About 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide

3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide (PubChem CID 44533724) has the molecular formula C27H34Cl2FN3O3S and a molecular weight of 570.56 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide
PubChem CID44533724
Molecular FormulaC27H34Cl2FN3O3S
Molecular Weight570.56 g/mol
Exact Mass569.17
IUPAC Name3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H34Cl2FN3O3S/c28-25-10-4-22(20-26(25)29)5-11-27(34)31-15-2-1-3-17-33-18-13-21(14-19-33)12-16-32-37(35,36)24-8-6-23(30)7-9-24/h4-11,20-21,32H,1-3,12-19H2,(H,31,34)
InChIKeyCVHFRZGHFAJTMH-UHFFFAOYSA-N
XLogP5.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.56
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide 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-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide (CID 44533724) is 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide?
The InChIKey is CVHFRZGHFAJTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2FN3O3S/c28-25-10-4-22(20-26(25)29)5-11-27(34)31-15-2-1-3-17-33-18-13-21(14-19-33)12-16-32-37(35,36)24-8-6-23(30)7-9-24/h4-11,20-21,32H,1-3,12-19H2,(H,31,34).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide?
3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide has a molecular weight of 570.56 g/mol, XLogP of 5.51, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[5-[4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidin-1-yl]pentyl]prop-2-enamide is sourced from PubChem (CID 44533724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).