N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide

C13H19NO3S — CID 142404844

IUPACN-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide
SMILESC=C(CC)CN(CCO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-3-12(2)11-14(9-10-15)18(16,17)13-7-5-4-6-8-13/h4-8,15H,2-3,9-11H2,1H3
InChIKeyCRAKYISCUDMKGL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.64
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide

N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide (PubChem CID 142404844) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide
PubChem CID142404844
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide
SMILESC=C(CC)CN(CCO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-3-12(2)11-14(9-10-15)18(16,17)13-7-5-4-6-8-13/h4-8,15H,2-3,9-11H2,1H3
InChIKeyCRAKYISCUDMKGL-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

n,n-Dibutylbenzenesulfonamide
CID 220596
2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
CID 668789
Ethanol, 2,2',2''-nitrilotris-, benzenesulfonate (1:1)
CID 163223
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81565
N-(2-Hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide
CID 81421
N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 44601996
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-(2-Hydroxyethyl)-N-(2-hydroxypropyl)-p-toluenesulphonamide
CID 4291
Ethanol, 2-(cyclohexyl)(4-fluorophenylsulfonyl)amino-
CID 604862
N-(2-Hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 232545
1-(Benzenesulfonyl)-3,4-dimethyl-2,5-dihydropyrrole
CID 13570141

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide (CID 142404844) is N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide is C=C(CC)CN(CCO)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide?
The InChIKey is CRAKYISCUDMKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-12(2)11-14(9-10-15)18(16,17)13-7-5-4-6-8-13/h4-8,15H,2-3,9-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide?
N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide is sourced from PubChem (CID 142404844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).