N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide

C14H23NO5S — CID 65113406

IUPACN-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H23NO5S/c1-4-14(2,16)11-15-21(17,18)13-7-5-12(6-8-13)20-10-9-19-3/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyOPHPXORZCBYJCI-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.15
Rot. Bonds9

About N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide

N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 65113406) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID65113406
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H23NO5S/c1-4-14(2,16)11-15-21(17,18)13-7-5-12(6-8-13)20-10-9-19-3/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyOPHPXORZCBYJCI-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-propoxybenzenesulfonamide
CID 90523134
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115747265
4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307640
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide (CID 65113406) is N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide is CCC(C)(O)CNS(=O)(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is OPHPXORZCBYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-4-14(2,16)11-15-21(17,18)13-7-5-12(6-8-13)20-10-9-19-3/h5-8,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide?
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 65113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).