4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

C18H30N2O2S — CID 110402911

IUPAC4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)cc1
InChIInChI=1S/C18H30N2O2S/c1-4-16-8-10-17(11-9-16)23(21,22)19-14-18(15(2)3)20-12-6-5-7-13-20/h8-11,15,18-19H,4-7,12-14H2,1-3H3
InChIKeyGQZZIEUGIROQRH-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.04
Rot. Bonds7

About 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 110402911) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID110402911
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)cc1
InChIInChI=1S/C18H30N2O2S/c1-4-16-8-10-17(11-9-16)23(21,22)19-14-18(15(2)3)20-12-6-5-7-13-20/h8-11,15,18-19H,4-7,12-14H2,1-3H3
InChIKeyGQZZIEUGIROQRH-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402904
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
CID 61250547
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110402939
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
1-[2-(azepan-1-yl)-3-methylbutyl]-3-ethyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111937365
1-[2-(azepan-1-yl)-3-methylbutyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111937302
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
2-cyano-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzenesulfonamide
CID 110403097
N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
CID 64540425
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (CID 110402911) is 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)cc1.
What is the InChIKey of 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is GQZZIEUGIROQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-4-16-8-10-17(11-9-16)23(21,22)19-14-18(15(2)3)20-12-6-5-7-13-20/h8-11,15,18-19H,4-7,12-14H2,1-3H3.
What are the key properties of 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 338.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 110402911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).