3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C20H25N3O3S — CID 109064909

IUPAC3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-18-7-3-4-13-23(18)20(24)17-6-5-8-19(14-17)27(25,26)22-15-16-9-11-21-12-10-16/h5-6,8-12,14,18,22H,2-4,7,13,15H2,1H3
InChIKeyKGOGVRUVZIKBHB-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.96
Rot. Bonds6

About 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 109064909) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID109064909
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-18-7-3-4-13-23(18)20(24)17-6-5-8-19(14-17)27(25,26)22-15-16-9-11-21-12-10-16/h5-6,8-12,14,18,22H,2-4,7,13,15H2,1H3
InChIKeyKGOGVRUVZIKBHB-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
CID 119632832
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
(2S)-1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365208
4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 97150016
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24537601

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 109064909) is 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCC1CCCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is KGOGVRUVZIKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-18-7-3-4-13-23(18)20(24)17-6-5-8-19(14-17)27(25,26)22-15-16-9-11-21-12-10-16/h5-6,8-12,14,18,22H,2-4,7,13,15H2,1H3.
What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 109064909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).