4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide

C26H29ClN2O3S — CID 22275720

IUPAC4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1OCCC1CCCCN1)c1ccccc1
InChIInChI=1S/C26H29ClN2O3S/c27-22-13-15-25(16-14-22)33(30,31)29(24-10-2-1-3-11-24)20-21-8-4-5-12-26(21)32-19-17-23-9-6-7-18-28-23/h1-5,8,10-16,23,28H,6-7,9,17-20H2
InChIKeyCVSVONBPWABIBG-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.65
Rot. Bonds9

About 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide

4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 22275720) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID22275720
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC Name4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1OCCC1CCCCN1)c1ccccc1
InChIInChI=1S/C26H29ClN2O3S/c27-22-13-15-25(16-14-22)33(30,31)29(24-10-2-1-3-11-24)20-21-8-4-5-12-26(21)32-19-17-23-9-6-7-18-28-23/h1-5,8,10-16,23,28H,6-7,9,17-20H2
InChIKeyCVSVONBPWABIBG-UHFFFAOYSA-N
XLogP5.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[2-[3-(cyclohexylamino)propoxy]phenyl]methyl]-N-phenylbenzenesulfonamide
CID 23401883
4-chloro-N-[[2-(5-fluoropentoxy)phenyl]methyl]-N-phenylbenzenesulfonamide
CID 141028084
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-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-[[2-[3-(benzenesulfonyl)propoxy]phenyl]methyl]-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 22275678
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide (CID 22275720) is 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1OCCC1CCCCN1)c1ccccc1.
What is the InChIKey of 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is CVSVONBPWABIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c27-22-13-15-25(16-14-22)33(30,31)29(24-10-2-1-3-11-24)20-21-8-4-5-12-26(21)32-19-17-23-9-6-7-18-28-23/h1-5,8,10-16,23,28H,6-7,9,17-20H2.
What are the key properties of 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide?
4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 485.05 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-N-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 22275720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).