N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide

C15H24N2O2S — CID 17456820

IUPACN-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-17-9-7-14(8-10-17)16-20(18,19)15-11-12(2)5-6-13(15)3/h5-6,11,14,16H,4,7-10H2,1-3H3
InChIKeyGTCGDEIADFAXOX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 17456820) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID17456820
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-17-9-7-14(8-10-17)16-20(18,19)15-11-12(2)5-6-13(15)3/h5-6,11,14,16H,4,7-10H2,1-3H3
InChIKeyGTCGDEIADFAXOX-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 63625380
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
N-(1-ethylpiperidin-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22772586
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108565930

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide (CID 17456820) is N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide is CCN1CCC(NS(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is GTCGDEIADFAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17-9-7-14(8-10-17)16-20(18,19)15-11-12(2)5-6-13(15)3/h5-6,11,14,16H,4,7-10H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.07, 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)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 17456820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).