N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C17H27NO3S — CID 110604918

IUPACN,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCC2CCCCO2)c(C)c1
InChIInChI=1S/C17H27NO3S/c1-13-11-14(2)17(15(3)12-13)22(19,20)18(4)9-8-16-7-5-6-10-21-16/h11-12,16H,5-10H2,1-4H3
InChIKeyGZEMVZHBLHRWII-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.19
Rot. Bonds5

About N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110604918) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID110604918
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCC2CCCCO2)c(C)c1
InChIInChI=1S/C17H27NO3S/c1-13-11-14(2)17(15(3)12-13)22(19,20)18(4)9-8-16-7-5-6-10-21-16/h11-12,16H,5-10H2,1-4H3
InChIKeyGZEMVZHBLHRWII-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2,4,6-tetramethyl-N-[2-(oxan-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,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 131933777
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-one
CID 114966118
N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131939267

Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 110604918) is N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)CCC2CCCCO2)c(C)c1.
What is the InChIKey of N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is GZEMVZHBLHRWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13-11-14(2)17(15(3)12-13)22(19,20)18(4)9-8-16-7-5-6-10-21-16/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110604918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).