N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide

C15H19N3O2S — CID 62308229

IUPACN-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2cccc(C)n2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-17-21(19,20)15-9-7-13(8-10-15)16-11-14-6-4-5-12(2)18-14/h4-10,16-17H,3,11H2,1-2H3
InChIKeyCHUXKKQOKINCGT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds6

About N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide

N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 62308229) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
PubChem CID62308229
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2cccc(C)n2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-17-21(19,20)15-9-7-13(8-10-15)16-11-14-6-4-5-12(2)18-14/h4-10,16-17H,3,11H2,1-2H3
InChIKeyCHUXKKQOKINCGT-UHFFFAOYSA-N
XLogP2.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline
CID 79267587
N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280983
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106055024
2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
CID 62307021
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide (CID 62308229) is N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCc2cccc(C)n2)cc1.
What is the InChIKey of N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is CHUXKKQOKINCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-17-21(19,20)15-9-7-13(8-10-15)16-11-14-6-4-5-12(2)18-14/h4-10,16-17H,3,11H2,1-2H3.
What are the key properties of N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide?
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62308229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).