4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide

C29H33ClF2N2O3S — CID 22275525

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide
SMILESCCC(c1ccccc1OCCCN1CCCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H33ClF2N2O3S/c1-2-27(25-9-4-5-10-29(25)37-20-8-19-33-17-6-3-7-18-33)34(28-21-23(31)13-16-26(28)32)38(35,36)24-14-11-22(30)12-15-24/h4-5,9-16,21,27H,2-3,6-8,17-20H2,1H3
InChIKeyDRBDLPDMEIZXFF-UHFFFAOYSA-N
MW563.11 g/mol
LogP7.22
Rot. Bonds11

About 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide

4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide (PubChem CID 22275525) has the molecular formula C29H33ClF2N2O3S and a molecular weight of 563.11 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide
PubChem CID22275525
Molecular FormulaC29H33ClF2N2O3S
Molecular Weight563.11 g/mol
Exact Mass562.19
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide
SMILESCCC(c1ccccc1OCCCN1CCCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H33ClF2N2O3S/c1-2-27(25-9-4-5-10-29(25)37-20-8-19-33-17-6-3-7-18-33)34(28-21-23(31)13-16-26(28)32)38(35,36)24-14-11-22(30)12-15-24/h4-5,9-16,21,27H,2-3,6-8,17-20H2,1H3
InChIKeyDRBDLPDMEIZXFF-UHFFFAOYSA-N
XLogP7.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.11
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide 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 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide (CID 22275525) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide is CCC(c1ccccc1OCCCN1CCCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide?
The InChIKey is DRBDLPDMEIZXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClF2N2O3S/c1-2-27(25-9-4-5-10-29(25)37-20-8-19-33-17-6-3-7-18-33)34(28-21-23(31)13-16-26(28)32)38(35,36)24-14-11-22(30)12-15-24/h4-5,9-16,21,27H,2-3,6-8,17-20H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide has a molecular weight of 563.11 g/mol, XLogP of 7.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(3-piperidin-1-ylpropoxy)phenyl]propyl]benzenesulfonamide is sourced from PubChem (CID 22275525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).