N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O3S — CID 4289503

IUPACN-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-18-8-4-16(5-9-18)12-13-22-20(24)17-6-10-19(11-7-17)27(25,26)23-14-2-1-3-15-23/h4-11H,1-3,12-15H2,(H,22,24)
InChIKeyQCLWEPAUSNTSBI-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 4289503) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID4289503
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-18-8-4-16(5-9-18)12-13-22-20(24)17-6-10-19(11-7-17)27(25,26)23-14-2-1-3-15-23/h4-11H,1-3,12-15H2,(H,22,24)
InChIKeyQCLWEPAUSNTSBI-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
1-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-(4-chlorophenyl)urea
CID 108782131
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2-chloro-6-fluorobenzamide
CID 108736474
N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837228
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide (CID 4289503) is N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QCLWEPAUSNTSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-8-4-16(5-9-18)12-13-22-20(24)17-6-10-19(11-7-17)27(25,26)23-14-2-1-3-15-23/h4-11H,1-3,12-15H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4289503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).