N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride

C28H33Cl3N2O3S — CID 22275065

IUPACN-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)N(Cc1ccccc1OCCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C28H32Cl2N2O3S.ClH/c29-25-14-15-26(30)27(20-25)32(36(33,34)22-23-10-3-1-4-11-23)21-24-12-5-6-13-28(24)35-19-9-18-31-16-7-2-8-17-31;/h1,3-6,10-15,20H,2,7-9,16-19,21-22H2;1H
InChIKeyQIJPFQPJNYJFMC-UHFFFAOYSA-N
MW584.01 g/mol
LogP7.21
Rot. Bonds11

About N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride

N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride (PubChem CID 22275065) has the molecular formula C28H33Cl3N2O3S and a molecular weight of 584.01 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride
PubChem CID22275065
Molecular FormulaC28H33Cl3N2O3S
Molecular Weight584.01 g/mol
Exact Mass582.13
IUPAC NameN-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)N(Cc1ccccc1OCCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C28H32Cl2N2O3S.ClH/c29-25-14-15-26(30)27(20-25)32(36(33,34)22-23-10-3-1-4-11-23)21-24-12-5-6-13-28(24)35-19-9-18-31-16-7-2-8-17-31;/h1,3-6,10-15,20H,2,7-9,16-19,21-22H2;1H
InChIKeyQIJPFQPJNYJFMC-UHFFFAOYSA-N
XLogP7.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.01
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide
CID 22276133
N-benzylsulfanyl-2,5-dichloro-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]aniline
CID 142014380
4-bromo-N-(2,5-difluorophenyl)-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]benzenesulfonamide
CID 22276214
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
CID 22275371
N-[2-[[2-[3-(azetidin-1-yl)propoxy]phenyl]methyl]-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 174454038
4-[3-[2-[(N-(4-chlorophenyl)sulfonylanilino)methyl]phenoxy]propyl]piperazine-1-carboxylic acid
CID 70123511
2-chloro-N-(4-chlorophenyl)sulfanyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyridin-3-amine
CID 142013997
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
CID 10496628
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride (CID 22275065) is N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)N(Cc1ccccc1OCCCN1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is QIJPFQPJNYJFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O3S.ClH/c29-25-14-15-26(30)27(20-25)32(36(33,34)22-23-10-3-1-4-11-23)21-24-12-5-6-13-28(24)35-19-9-18-31-16-7-2-8-17-31;/h1,3-6,10-15,20H,2,7-9,16-19,21-22H2;1H.
What are the key properties of N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride?
N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 584.01 g/mol, XLogP of 7.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 22275065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).