N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide

C16H21N3O3S — CID 75375799

IUPACN,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccn1
InChIInChI=1S/C16H21N3O3S/c1-18(2)23(20,21)15-9-7-14(8-10-15)22-13-12-19(3)16-6-4-5-11-17-16/h4-11H,12-13H2,1-3H3
InChIKeyFKRDXCDICRXBHH-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.85
Rot. Bonds7

About N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide (PubChem CID 75375799) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
PubChem CID75375799
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccn1
InChIInChI=1S/C16H21N3O3S/c1-18(2)23(20,21)15-9-7-14(8-10-15)22-13-12-19(3)16-6-4-5-11-17-16/h4-11H,12-13H2,1-3H3
InChIKeyFKRDXCDICRXBHH-UHFFFAOYSA-N
XLogP1.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N,N-dimethyl-4-[2-[methyl(naphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 60572938
3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanylpropanoic acid
CID 23362224
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
CID 46782305
methyl 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoate
CID 18794800
2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile
CID 18794786
(5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl](114C)methylidene]-1,3-thiazolidine-2,4-dione
CID 15186150
N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine
CID 1481484
N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine
CID 1481480
N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide (CID 75375799) is N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide is CN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide?
The InChIKey is FKRDXCDICRXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-18(2)23(20,21)15-9-7-14(8-10-15)22-13-12-19(3)16-6-4-5-11-17-16/h4-11H,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 75375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).