4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide

C12H20N2O2S — CID 79589176

IUPAC4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3,4)5/h6-7,14H,13H2,1-5H3
InChIKeyAUOXRWZXRMIAPY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.96
Rot. Bonds2

About 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide

4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide (PubChem CID 79589176) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
PubChem CID79589176
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3,4)5/h6-7,14H,13H2,1-5H3
InChIKeyAUOXRWZXRMIAPY-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
CID 114804849
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679
4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485231
2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 61263608
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide (CID 79589176) is 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide?
The InChIKey is AUOXRWZXRMIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3,4)5/h6-7,14H,13H2,1-5H3.
What are the key properties of 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide?
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79589176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).