N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide

C15H19N3O2S — CID 113026944

IUPACN-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-3-21(19,20)17-15-10-9-14(11-16-15)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,16,17)
InChIKeyXUXOPCKIJLCGDU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds6

About N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide

N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide (PubChem CID 113026944) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
PubChem CID113026944
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-3-21(19,20)17-15-10-9-14(11-16-15)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,16,17)
InChIKeyXUXOPCKIJLCGDU-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine
CID 113027603
N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113030616
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027614
N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028583
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
5-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109189340
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
CID 113025774
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250

Frequently Asked Questions

What is the IUPAC name of N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide (CID 113026944) is N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide?
The InChIKey is XUXOPCKIJLCGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-21(19,20)17-15-10-9-14(11-16-15)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,16,17).
What are the key properties of N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide?
N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113026944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).