N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide

C20H23ClN2O4S — CID 108560401

IUPACN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-2-27-18-7-3-15(4-8-18)20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-5-16(21)6-10-19/h3-10,17H,2,11-14H2,1H3,(H,22,24)
InChIKeyNLVMSDYPTMBTFI-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide

N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide (PubChem CID 108560401) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
PubChem CID108560401
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-2-27-18-7-3-15(4-8-18)20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-5-16(21)6-10-19/h3-10,17H,2,11-14H2,1H3,(H,22,24)
InChIKeyNLVMSDYPTMBTFI-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560402
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
[3-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbamoyl]phenyl] acetate
CID 108559052
N-cyclopropyl-4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide
CID 46559624
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2125400
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide (CID 108560401) is N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide?
The InChIKey is NLVMSDYPTMBTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-2-27-18-7-3-15(4-8-18)20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-5-16(21)6-10-19/h3-10,17H,2,11-14H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide?
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide has a molecular weight of 422.93 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide is sourced from PubChem (CID 108560401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).