N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H23ClN2O4S — CID 1075489

IUPACN-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-27-18-6-8-19(9-7-18)28(25,26)23-12-10-16(11-13-23)20(24)22-14-15-2-4-17(21)5-3-15/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyRUJLNSMZAHWFSJ-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1075489) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1075489
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-27-18-6-8-19(9-7-18)28(25,26)23-12-10-16(11-13-23)20(24)22-14-15-2-4-17(21)5-3-15/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyRUJLNSMZAHWFSJ-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1075489) is N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RUJLNSMZAHWFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-27-18-6-8-19(9-7-18)28(25,26)23-12-10-16(11-13-23)20(24)22-14-15-2-4-17(21)5-3-15/h2-9,16H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1075489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).