N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H23ClN2O5S — CID 1088320

IUPACN-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-8-7-17(13-19(18)28-2)29(25,26)23-11-9-14(10-12-23)20(24)22-16-5-3-15(21)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyCSXWCFOBOZTVPS-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.40
Rot. Bonds6

About N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1088320) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1088320
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-8-7-17(13-19(18)28-2)29(25,26)23-11-9-14(10-12-23)20(24)22-16-5-3-15(21)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyCSXWCFOBOZTVPS-UHFFFAOYSA-N
XLogP3.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 5201160
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-(3-chloro-4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4016678
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
N-(3,4-difluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549818
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
ethyl 1-[4-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100799138

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1088320) is N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CSXWCFOBOZTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-18-8-7-17(13-19(18)28-2)29(25,26)23-11-9-14(10-12-23)20(24)22-16-5-3-15(21)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 438.93 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).