N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide

C15H25NO3S — CID 103844815

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO3S/c1-5-15(6-2,11-17)10-16-20(18,19)14-9-12(3)7-8-13(14)4/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyMULNYRGIPFENAH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.38
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 103844815) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
PubChem CID103844815
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO3S/c1-5-15(6-2,11-17)10-16-20(18,19)14-9-12(3)7-8-13(14)4/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyMULNYRGIPFENAH-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81401246
N-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[2-(bromomethyl)-2-ethylbutyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106256050
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106252767

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide (CID 103844815) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide is CCC(CC)(CO)CNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MULNYRGIPFENAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-15(6-2,11-17)10-16-20(18,19)14-9-12(3)7-8-13(14)4/h7-9,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 103844815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).