N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

C25H24Cl2N2O5S — CID 133189573

IUPACN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C25H24Cl2N2O5S/c1-33-20-5-2-6-21(15-20)34-24-12-9-19(27)14-23(24)28-25(30)17-4-3-13-29(16-17)35(31,32)22-10-7-18(26)8-11-22/h2,5-12,14-15,17H,3-4,13,16H2,1H3,(H,28,30)
InChIKeyPDLAFWRWPUDATO-UHFFFAOYSA-N
MW535.45 g/mol
LogP5.83
Rot. Bonds7

About N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 133189573) has the molecular formula C25H24Cl2N2O5S and a molecular weight of 535.45 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID133189573
Molecular FormulaC25H24Cl2N2O5S
Molecular Weight535.45 g/mol
Exact Mass534.08
IUPAC NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C25H24Cl2N2O5S/c1-33-20-5-2-6-21(15-20)34-24-12-9-19(27)14-23(24)28-25(30)17-4-3-13-29(16-17)35(31,32)22-10-7-18(26)8-11-22/h2,5-12,14-15,17H,3-4,13,16H2,1H3,(H,28,30)
InChIKeyPDLAFWRWPUDATO-UHFFFAOYSA-N
XLogP5.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]piperidine-3-carboxamide
CID 100662079
(3R)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666999
(3S)-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100671069
1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide
CID 5221432
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41339354
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849
(3R)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078448
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 126398428
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863410
N-(2-chloro-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24685730
N-(5-bromo-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55906809
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (CID 133189573) is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PDLAFWRWPUDATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O5S/c1-33-20-5-2-6-21(15-20)34-24-12-9-19(27)14-23(24)28-25(30)17-4-3-13-29(16-17)35(31,32)22-10-7-18(26)8-11-22/h2,5-12,14-15,17H,3-4,13,16H2,1H3,(H,28,30).
What are the key properties of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 535.45 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133189573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).