4-amino-2,6-dimethyl-N-propylbenzenesulfonamide

C11H18N2O2S — CID 79588837

IUPAC4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C11H18N2O2S/c1-4-5-13-16(14,15)11-8(2)6-10(12)7-9(11)3/h6-7,13H,4-5,12H2,1-3H3
InChIKeyZYOJNJFVJOUGCB-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.57
Rot. Bonds4

About 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide

4-amino-2,6-dimethyl-N-propylbenzenesulfonamide (PubChem CID 79588837) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
PubChem CID79588837
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C11H18N2O2S/c1-4-5-13-16(14,15)11-8(2)6-10(12)7-9(11)3/h6-7,13H,4-5,12H2,1-3H3
InChIKeyZYOJNJFVJOUGCB-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.57
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

4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425511
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide (CID 79588837) is 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is ZYOJNJFVJOUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-5-13-16(14,15)11-8(2)6-10(12)7-9(11)3/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide?
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 79588837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).