5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine

C16H22N4O2S — CID 113027603

IUPAC5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C16H22N4O2S/c1-4-20(13-14-8-6-5-7-9-14)15-10-11-16(17-12-15)18-23(21,22)19(2)3/h5-12H,4,13H2,1-3H3,(H,17,18)
InChIKeyKYFLQJPYZMMLGL-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.33
Rot. Bonds7

About 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine

5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine (PubChem CID 113027603) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine
PubChem CID113027603
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C16H22N4O2S/c1-4-20(13-14-8-6-5-7-9-14)15-10-11-16(17-12-15)18-23(21,22)19(2)3/h5-12H,4,13H2,1-3H3,(H,17,18)
InChIKeyKYFLQJPYZMMLGL-UHFFFAOYSA-N
XLogP2.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027614
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
CID 113026944
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide
CID 113041939
N-ethyl-5-[(N-ethylanilino)methyl]pyridin-2-amine
CID 62182688
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine?
The IUPAC name of 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine (CID 113027603) is 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine?
The canonical SMILES for 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine is CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)N(C)C)nc1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine?
The InChIKey is KYFLQJPYZMMLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-20(13-14-8-6-5-7-9-14)15-10-11-16(17-12-15)18-23(21,22)19(2)3/h5-12H,4,13H2,1-3H3,(H,17,18).
What are the key properties of 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine?
5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine has a molecular weight of 334.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine is sourced from PubChem (CID 113027603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).