4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide

C13H22N2O3S — CID 79588525

IUPAC4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C13H22N2O3S/c1-5-13(4,16)8-15-19(17,18)12-9(2)6-11(14)7-10(12)3/h6-7,15-16H,5,8,14H2,1-4H3
InChIKeyIQVPZFRXFCJVOZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79588525) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79588525
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C13H22N2O3S/c1-5-13(4,16)8-15-19(17,18)12-9(2)6-11(14)7-10(12)3/h6-7,15-16H,5,8,14H2,1-4H3
InChIKeyIQVPZFRXFCJVOZ-UHFFFAOYSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 65112859
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
5-amino-N-(2-ethyl-2-hydroxybutyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645577
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide (CID 79588525) is 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide is CCC(C)(O)CNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is IQVPZFRXFCJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-13(4,16)8-15-19(17,18)12-9(2)6-11(14)7-10(12)3/h6-7,15-16H,5,8,14H2,1-4H3.
What are the key properties of 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79588525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).