3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C15H19N3O2S — CID 43506999

IUPAC3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C15H19N3O2S/c1-11-7-8-17-15(9-11)18-21(19,20)14-6-4-5-13(10-14)12(2)16-3/h4-10,12,16H,1-3H3,(H,17,18)
InChIKeyQPDYBTUFXVJVCK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.47
Rot. Bonds5

About 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 43506999) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID43506999
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C15H19N3O2S/c1-11-7-8-17-15(9-11)18-21(19,20)14-6-4-5-13(10-14)12(2)16-3/h4-10,12,16H,1-3H3,(H,17,18)
InChIKeyQPDYBTUFXVJVCK-UHFFFAOYSA-N
XLogP2.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 43506999) is 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)Nc2cc(C)ccn2)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is QPDYBTUFXVJVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-7-8-17-15(9-11)18-21(19,20)14-6-4-5-13(10-14)12(2)16-3/h4-10,12,16H,1-3H3,(H,17,18).
What are the key properties of 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 43506999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).