N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C18H30N2O2S — CID 22772586

IUPACN-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C18H30N2O2S/c1-7-20-10-8-17(9-11-20)19-23(21,22)18-15(5)13(3)12(2)14(4)16(18)6/h17,19H,7-11H2,1-6H3
InChIKeyYPYOGWVIKISMQD-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.99
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 22772586) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID22772586
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C18H30N2O2S/c1-7-20-10-8-17(9-11-20)19-23(21,22)18-15(5)13(3)12(2)14(4)16(18)6/h17,19H,7-11H2,1-6H3
InChIKeyYPYOGWVIKISMQD-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
CID 61047090
1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19682857
2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723758
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 22772586) is N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is CCN1CCC(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is YPYOGWVIKISMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-7-20-10-8-17(9-11-20)19-23(21,22)18-15(5)13(3)12(2)14(4)16(18)6/h17,19H,7-11H2,1-6H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 338.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 22772586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).