N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide

C25H25ClN2O4S — CID 67168414

IUPACN-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)c1
InChIInChI=1S/C25H25ClN2O4S/c1-33(30,31)27-22-4-2-3-20(17-22)18-5-7-19(8-6-18)25(29)28-15-13-24(14-16-28)32-23-11-9-21(26)10-12-23/h2-12,17,24,27H,13-16H2,1H3
InChIKeyPMTHQQSQXGKLTK-UHFFFAOYSA-N
MW485.01 g/mol
LogP5.06
Rot. Bonds6

About N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide

N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide (PubChem CID 67168414) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide
PubChem CID67168414
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC NameN-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)c1
InChIInChI=1S/C25H25ClN2O4S/c1-33(30,31)27-22-4-2-3-20(17-22)18-5-7-19(8-6-18)25(29)28-15-13-24(14-16-28)32-23-11-9-21(26)10-12-23/h2-12,17,24,27H,13-16H2,1H3
InChIKeyPMTHQQSQXGKLTK-UHFFFAOYSA-N
XLogP5.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]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

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 67168433
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629010

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide (CID 67168414) is N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)c1.
What is the InChIKey of N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide?
The InChIKey is PMTHQQSQXGKLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-33(30,31)27-22-4-2-3-20(17-22)18-5-7-19(8-6-18)25(29)28-15-13-24(14-16-28)32-23-11-9-21(26)10-12-23/h2-12,17,24,27H,13-16H2,1H3.
What are the key properties of N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide?
N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide has a molecular weight of 485.01 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67168414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).