2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C16H20N2O3S — CID 850040

IUPAC2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C16H20N2O3S/c1-12(2)13-7-8-15(21-3)16(10-13)22(19,20)18-11-14-6-4-5-9-17-14/h4-10,12,18H,11H2,1-3H3
InChIKeyGDPAROXGPLSTQN-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.69
Rot. Bonds6

About 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide

2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 850040) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID850040
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C16H20N2O3S/c1-12(2)13-7-8-15(21-3)16(10-13)22(19,20)18-11-14-6-4-5-9-17-14/h4-10,12,18H,11H2,1-3H3
InChIKeyGDPAROXGPLSTQN-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)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-{4-Methoxy-3-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid
CID 711415
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-2,3-dimethyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 850049
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 970502
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
2,5-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 794488
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 850040) is 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is GDPAROXGPLSTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12(2)13-7-8-15(21-3)16(10-13)22(19,20)18-11-14-6-4-5-9-17-14/h4-10,12,18H,11H2,1-3H3.
What are the key properties of 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 850040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).