N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide

C17H23N3O2S — CID 113029780

IUPACN-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)CCc2ccccc2)nc1
InChIInChI=1S/C17H23N3O2S/c1-3-20(4-2)16-10-11-17(18-14-16)19-23(21,22)13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeyGLOWGNNBBRSBMX-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.91
Rot. Bonds8

About N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide

N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113029780) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113029780
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)CCc2ccccc2)nc1
InChIInChI=1S/C17H23N3O2S/c1-3-20(4-2)16-10-11-17(18-14-16)19-23(21,22)13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeyGLOWGNNBBRSBMX-UHFFFAOYSA-N
XLogP2.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.91
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-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
CID 113026944
N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027614
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113049646
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
CID 113025343
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide (CID 113029780) is N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)CCc2ccccc2)nc1.
What is the InChIKey of N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is GLOWGNNBBRSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-20(4-2)16-10-11-17(18-14-16)19-23(21,22)13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide?
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113029780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).