N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide

C15H24N2O2S — CID 60805252

IUPACN-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O2S/c1-4-17(14-5-7-16-8-6-14)20(18,19)15-10-12(2)9-13(3)11-15/h9-11,14,16H,4-8H2,1-3H3
InChIKeyOKFHGZSKBDFHRG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds4

About N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide

N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 60805252) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID60805252
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O2S/c1-4-17(14-5-7-16-8-6-14)20(18,19)15-10-12(2)9-13(3)11-15/h9-11,14,16H,4-8H2,1-3H3
InChIKeyOKFHGZSKBDFHRG-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

3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299793
N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
CID 60806594
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide (CID 60805252) is N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is OKFHGZSKBDFHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(14-5-7-16-8-6-14)20(18,19)15-10-12(2)9-13(3)11-15/h9-11,14,16H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide 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-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60805252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).