2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide

C14H21NO4S — CID 110369880

IUPAC2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1(C)OCCCO1
InChIInChI=1S/C14H21NO4S/c1-12-6-3-4-7-13(12)20(16,17)15-9-8-14(2)18-10-5-11-19-14/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyYVABGSOFQXQIDT-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.82
Rot. Bonds5

About 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide

2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110369880) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
PubChem CID110369880
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1(C)OCCCO1
InChIInChI=1S/C14H21NO4S/c1-12-6-3-4-7-13(12)20(16,17)15-9-8-14(2)18-10-5-11-19-14/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyYVABGSOFQXQIDT-UHFFFAOYSA-N
XLogP1.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)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

N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110369851
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide (CID 110369880) is 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCC1(C)OCCCO1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YVABGSOFQXQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-12-6-3-4-7-13(12)20(16,17)15-9-8-14(2)18-10-5-11-19-14/h3-4,6-7,15H,5,8-11H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide?
2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110369880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).