N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide

C27H30ClFN2O2S — CID 23108489

IUPACN-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H30ClFN2O2S/c1-34(32,33)31(20-24-7-3-5-9-27(24)28)19-23-6-2-4-8-26(23)22-14-16-30(17-15-22)18-21-10-12-25(29)13-11-21/h2-13,22H,14-20H2,1H3
InChIKeyIGYXUTDQOOWWCH-UHFFFAOYSA-N
MW501.07 g/mol
LogP5.82
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide

N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 23108489) has the molecular formula C27H30ClFN2O2S and a molecular weight of 501.07 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID23108489
Molecular FormulaC27H30ClFN2O2S
Molecular Weight501.07 g/mol
Exact Mass500.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H30ClFN2O2S/c1-34(32,33)31(20-24-7-3-5-9-27(24)28)19-23-6-2-4-8-26(23)22-14-16-30(17-15-22)18-21-10-12-25(29)13-11-21/h2-13,22H,14-20H2,1H3
InChIKeyIGYXUTDQOOWWCH-UHFFFAOYSA-N
XLogP5.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.07
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide 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

{(2S)-2-(3-Chlorophenyl)-4-[4-(4-fluorophenyl)piperidyl]butyl}methyl(phenylsulfonyl)amine
CID 478410
2-(2-Chloro-6-fluorobenzyl)-6-(2-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 7245511
2-(2-Chloro-4-fluorobenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921552
[2-(2-Chlorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479857
1-(Benzylsulfonyl)-4-(2-chloro-4-fluorobenzyl)piperazine
CID 6465133
1-Benzylsulfonyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 9443410
2-Benzyl-6-[(2-chloro-4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 16022930
2-(2-Chlorobenzyl)-6-(4-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921460
2-(2-Chloro-6-fluorobenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921546
N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 46891019
CID 134799421
CID 134799421
2-[(2-Chloro-4-fluorophenyl)methyl]-6-[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 22424144

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide (CID 23108489) is N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is IGYXUTDQOOWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN2O2S/c1-34(32,33)31(20-24-7-3-5-9-27(24)28)19-23-6-2-4-8-26(23)22-14-16-30(17-15-22)18-21-10-12-25(29)13-11-21/h2-13,22H,14-20H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 501.07 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 23108489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).