N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide

C13H21NO5S — CID 64556227

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO5S/c1-5-13(2,9-15)14-20(16,17)12-8-10(18-3)6-7-11(12)19-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyPBRXAZZDXRUEBK-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.14
Rot. Bonds7

About N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 64556227) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID64556227
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO5S/c1-5-13(2,9-15)14-20(16,17)12-8-10(18-3)6-7-11(12)19-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyPBRXAZZDXRUEBK-UHFFFAOYSA-N
XLogP1.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 39432708
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 64557210
2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide (CID 64556227) is N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is PBRXAZZDXRUEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-5-13(2,9-15)14-20(16,17)12-8-10(18-3)6-7-11(12)19-4/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 64556227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).