2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide

C16H21N3O4S2 — CID 113067319

IUPAC2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C16H21N3O4S2/c1-14-7-3-4-9-16(14)25(22,23)18-11-12-19(24(2,20)21)13-15-8-5-6-10-17-15/h3-10,18H,11-13H2,1-2H3
InChIKeyXJQNEECEQNVRAJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.13
Rot. Bonds8

About 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide

2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide (PubChem CID 113067319) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
PubChem CID113067319
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC Name2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C16H21N3O4S2/c1-14-7-3-4-9-16(14)25(22,23)18-11-12-19(24(2,20)21)13-15-8-5-6-10-17-15/h3-10,18H,11-13H2,1-2H3
InChIKeyXJQNEECEQNVRAJ-UHFFFAOYSA-N
XLogP1.13
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide 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

3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 113067318
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113069089
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
3-[(2,6-dimethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 166266155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide (CID 113067319) is 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCN(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is XJQNEECEQNVRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c1-14-7-3-4-9-16(14)25(22,23)18-11-12-19(24(2,20)21)13-15-8-5-6-10-17-15/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide?
2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 383.50 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113067319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).