N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide

C15H25N3O2S — CID 79704235

IUPACN-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N(C)CC1CCNCC1
InChIInChI=1S/C15H25N3O2S/c1-3-17-21(19,20)15-7-5-4-6-14(15)18(2)12-13-8-10-16-11-9-13/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyWINGTDJBYPGIEI-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds6

About N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide

N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide (PubChem CID 79704235) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide
PubChem CID79704235
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N(C)CC1CCNCC1
InChIInChI=1S/C15H25N3O2S/c1-3-17-21(19,20)15-7-5-4-6-14(15)18(2)12-13-8-10-16-11-9-13/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyWINGTDJBYPGIEI-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide (CID 79704235) is N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1N(C)CC1CCNCC1.
What is the InChIKey of N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide?
The InChIKey is WINGTDJBYPGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-17-21(19,20)15-7-5-4-6-14(15)18(2)12-13-8-10-16-11-9-13/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide?
N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methyl(piperidin-4-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 79704235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).