N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide

C17H24N4O2S — CID 113010814

IUPACN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
SMILESCN(C)CCNc1ccc(NS(=O)(=O)CCc2ccccc2)cn1
InChIInChI=1S/C17H24N4O2S/c1-21(2)12-11-18-17-9-8-16(14-19-17)20-24(22,23)13-10-15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3,(H,18,19)
InChIKeyLWITYLPZKZOPLS-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.04
Rot. Bonds9

About N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide

N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113010814) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113010814
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
SMILESCN(C)CCNc1ccc(NS(=O)(=O)CCc2ccccc2)cn1
InChIInChI=1S/C17H24N4O2S/c1-21(2)12-11-18-17-9-8-16(14-19-17)20-24(22,23)13-10-15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3,(H,18,19)
InChIKeyLWITYLPZKZOPLS-UHFFFAOYSA-N
XLogP2.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113016544
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
CID 71939376
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide (CID 113010814) is N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide is CN(C)CCNc1ccc(NS(=O)(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is LWITYLPZKZOPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-21(2)12-11-18-17-9-8-16(14-19-17)20-24(22,23)13-10-15-6-4-3-5-7-15/h3-9,14,20H,10-13H2,1-2H3,(H,18,19).
What are the key properties of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113010814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).