(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide

C29H32Cl2N2O3S — CID 22276133

IUPAC(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)N(Cc1ccccc1OCCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C29H32Cl2N2O3S/c30-26-14-15-27(31)28(22-26)33(37(34,35)21-16-24-10-3-1-4-11-24)23-25-12-5-6-13-29(25)36-20-9-19-32-17-7-2-8-18-32/h1,3-6,10-16,21-22H,2,7-9,17-20,23H2/b21-16+
InChIKeyWUXSMPHEWQJZQO-LTGZKZEYSA-N
MW559.56 g/mol
LogP7.26
Rot. Bonds11

About (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide

(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide (PubChem CID 22276133) has the molecular formula C29H32Cl2N2O3S and a molecular weight of 559.56 g/mol. Its IUPAC name is (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide
PubChem CID22276133
Molecular FormulaC29H32Cl2N2O3S
Molecular Weight559.56 g/mol
Exact Mass558.15
IUPAC Name(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)N(Cc1ccccc1OCCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C29H32Cl2N2O3S/c30-26-14-15-27(31)28(22-26)33(37(34,35)21-16-24-10-3-1-4-11-24)23-25-12-5-6-13-29(25)36-20-9-19-32-17-7-2-8-18-32/h1,3-6,10-16,21-22H,2,7-9,17-20,23H2/b21-16+
InChIKeyWUXSMPHEWQJZQO-LTGZKZEYSA-N
XLogP7.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.56
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride
CID 22275065
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
4-[3-[2-[(N-(4-chlorophenyl)sulfonylanilino)methyl]phenoxy]propyl]piperazine-1-carboxylic acid
CID 70123511
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
N-[2-[[2-[3-(azetidin-1-yl)propoxy]phenyl]methyl]-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 174454038
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
2-chloro-N-(4-chlorophenyl)sulfanyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyridin-3-amine
CID 142013997
1-[4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 20544929

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide?
The IUPAC name of (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide (CID 22276133) is (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)N(Cc1ccccc1OCCCN1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide?
The InChIKey is WUXSMPHEWQJZQO-LTGZKZEYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O3S/c30-26-14-15-27(31)28(22-26)33(37(34,35)21-16-24-10-3-1-4-11-24)23-25-12-5-6-13-29(25)36-20-9-19-32-17-7-2-8-18-32/h1,3-6,10-16,21-22H,2,7-9,17-20,23H2/b21-16+.
What are the key properties of (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide?
(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide has a molecular weight of 559.56 g/mol, XLogP of 7.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide is sourced from PubChem (CID 22276133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).