N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C16H25NO3S — CID 110604914

IUPACN,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCC2CCCCO2)c1
InChIInChI=1S/C16H25NO3S/c1-13-7-8-14(2)16(12-13)21(18,19)17(3)10-9-15-6-4-5-11-20-15/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyWQKUVGQKGBVAEZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.88
Rot. Bonds5

About N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110604914) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID110604914
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCC2CCCCO2)c1
InChIInChI=1S/C16H25NO3S/c1-13-7-8-14(2)16(12-13)21(18,19)17(3)10-9-15-6-4-5-11-20-15/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyWQKUVGQKGBVAEZ-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
CID 53055789
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 125061925
N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131939267
N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8003484
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 110604914) is N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CCC2CCCCO2)c1.
What is the InChIKey of N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WQKUVGQKGBVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13-7-8-14(2)16(12-13)21(18,19)17(3)10-9-15-6-4-5-11-20-15/h7-8,12,15H,4-6,9-11H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110604914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).