4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide

C27H29ClN2O4S — CID 22275371

IUPAC4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
SMILESO=C1CCN(CCCOc2ccccc2CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29ClN2O4S/c28-23-11-13-26(14-12-23)35(32,33)30(24-8-2-1-3-9-24)21-22-7-4-5-10-27(22)34-20-6-17-29-18-15-25(31)16-19-29/h1-5,7-14H,6,15-21H2
InChIKeyULRLGPPBFLZTLR-UHFFFAOYSA-N
MW513.06 g/mol
LogP5.17
Rot. Bonds10

About 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide

4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide (PubChem CID 22275371) has the molecular formula C27H29ClN2O4S and a molecular weight of 513.06 g/mol. Its IUPAC name is 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
PubChem CID22275371
Molecular FormulaC27H29ClN2O4S
Molecular Weight513.06 g/mol
Exact Mass512.15
IUPAC Name4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
SMILESO=C1CCN(CCCOc2ccccc2CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H29ClN2O4S/c28-23-11-13-26(14-12-23)35(32,33)30(24-8-2-1-3-9-24)21-22-7-4-5-10-27(22)34-20-6-17-29-18-15-25(31)16-19-29/h1-5,7-14H,6,15-21H2
InChIKeyULRLGPPBFLZTLR-UHFFFAOYSA-N
XLogP5.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.06
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide 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

4-[3-[2-[(N-(4-chlorophenyl)sulfonylanilino)methyl]phenoxy]propyl]piperazine-1-carboxylic acid
CID 70123511
4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide
CID 141028084
4-chloro-N-[[2-[3-(cyclohexylamino)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
CID 23401883
4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide
CID 22275720
4-bromo-N-(2,5-difluorophenyl)-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]benzenesulfonamide
CID 22276214
N-(2,5-dichlorophenyl)-1-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]methanesulfonamide;hydrochloride
CID 22275065
N-[[2-[3-(benzenesulfonyl)propoxy]phenyl]methyl]-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 22275678
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide
CID 22276133
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-[2-[[2-[3-(azetidin-1-yl)propoxy]phenyl]methyl]-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 174454038
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide (CID 22275371) is 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide is O=C1CCN(CCCOc2ccccc2CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide?
The InChIKey is ULRLGPPBFLZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4S/c28-23-11-13-26(14-12-23)35(32,33)30(24-8-2-1-3-9-24)21-22-7-4-5-10-27(22)34-20-6-17-29-18-15-25(31)16-19-29/h1-5,7-14H,6,15-21H2.
What are the key properties of 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide?
4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide has a molecular weight of 513.06 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[3-(4-oxopiperidin-1-yl)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 22275371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).