4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

C26H37N3O2S — CID 44526712

IUPAC4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)cc1
InChIInChI=1S/C26H37N3O2S/c1-2-22-9-11-26(12-10-22)32(30,31)27-24-8-6-7-23(21-24)13-18-28-19-14-25(15-20-28)29-16-4-3-5-17-29/h6-12,21,25,27H,2-5,13-20H2,1H3
InChIKeyVVAJWIOPHHKDFX-UHFFFAOYSA-N
MW455.67 g/mol
LogP4.54
Rot. Bonds8

About 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 44526712) has the molecular formula C26H37N3O2S and a molecular weight of 455.67 g/mol. Its IUPAC name is 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID44526712
Molecular FormulaC26H37N3O2S
Molecular Weight455.67 g/mol
Exact Mass455.26
IUPAC Name4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)cc1
InChIInChI=1S/C26H37N3O2S/c1-2-22-9-11-26(12-10-22)32(30,31)27-24-8-6-7-23(21-24)13-18-28-19-14-25(15-20-28)29-16-4-3-5-17-29/h6-12,21,25,27H,2-5,13-20H2,1H3
InChIKeyVVAJWIOPHHKDFX-UHFFFAOYSA-N
XLogP4.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
4-((4-Benzylpiperidin-1-yl)sulfonyl)aniline
CID 2115228
N-{2-[(cyclohexylamino)methyl]phenyl}-4-methylbenzenesulfonamide
CID 1309591
4-ethyl-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide
CID 2747440
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
4-methyl-N-(4-(4-phenylpiperazin-1-yl)butyl)benzenesulfonamide
CID 11740935
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-phenylbenzenesulfonamide
CID 24886137
4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)benzenesulfonamide
CID 44425701
N-(3-(2-(methylamino)ethyl)phenyl)benzenesulfonamide
CID 11849203
N-(3-(2-(dimethylamino)ethyl)phenyl)benzenesulfonamide
CID 11849745
N-{2-[ethyl(3-methylphenyl)amino]-2-phenylethyl}benzenesulfonamide
CID 16012679
N-{2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-phenylethyl}-4-methylbenzene-1-sulfonamide
CID 23604910

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 44526712) is 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is VVAJWIOPHHKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2S/c1-2-22-9-11-26(12-10-22)32(30,31)27-24-8-6-7-23(21-24)13-18-28-19-14-25(15-20-28)29-16-4-3-5-17-29/h6-12,21,25,27H,2-5,13-20H2,1H3.
What are the key properties of 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 455.67 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 44526712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).