N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide

C15H19N3O3S — CID 39660293

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1
InChIInChI=1S/C15H19N3O3S/c1-18(2)15-12(5-4-10-16-15)11-17-22(19,20)14-8-6-13(21-3)7-9-14/h4-10,17H,11H2,1-3H3
InChIKeyHNNSODUQFYYFSU-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.63
Rot. Bonds6

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 39660293) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide
PubChem CID39660293
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1
InChIInChI=1S/C15H19N3O3S/c1-18(2)15-12(5-4-10-16-15)11-17-22(19,20)14-8-6-13(21-3)7-9-14/h4-10,17H,11H2,1-3H3
InChIKeyHNNSODUQFYYFSU-UHFFFAOYSA-N
XLogP1.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 669141
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide (CID 39660293) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is HNNSODUQFYYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18(2)15-12(5-4-10-16-15)11-17-22(19,20)14-8-6-13(21-3)7-9-14/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 39660293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).