2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C18H24N2O2S — CID 3838924

IUPAC2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCc2cccnc2)c(C)c1C
InChIInChI=1S/C18H24N2O2S/c1-12-13(2)15(4)18(16(5)14(12)3)23(21,22)20-10-8-17-7-6-9-19-11-17/h6-7,9,11,20H,8,10H2,1-5H3
InChIKeyJHDBBLHUIICFEP-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.14
Rot. Bonds5

About 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 3838924) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID3838924
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCc2cccnc2)c(C)c1C
InChIInChI=1S/C18H24N2O2S/c1-12-13(2)15(4)18(16(5)14(12)3)23(21,22)20-10-8-17-7-6-9-19-11-17/h6-7,9,11,20H,8,10H2,1-5H3
InChIKeyJHDBBLHUIICFEP-UHFFFAOYSA-N
XLogP3.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)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-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383152

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 3838924) is 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCCc2cccnc2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is JHDBBLHUIICFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-13(2)15(4)18(16(5)14(12)3)23(21,22)20-10-8-17-7-6-9-19-11-17/h6-7,9,11,20H,8,10H2,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3838924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).