4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide

C14H24N2O3S — CID 82950627

IUPAC4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C14H24N2O3S/c1-4-7-19-8-5-6-16-20(17,18)14-11(2)9-13(15)10-12(14)3/h9-10,16H,4-8,15H2,1-3H3
InChIKeyHSXHWOIUAIYNNX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.98
Rot. Bonds8

About 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 82950627) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID82950627
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C14H24N2O3S/c1-4-7-19-8-5-6-16-20(17,18)14-11(2)9-13(15)10-12(14)3/h9-10,16H,4-8,15H2,1-3H3
InChIKeyHSXHWOIUAIYNNX-UHFFFAOYSA-N
XLogP1.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide (CID 82950627) is 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is HSXHWOIUAIYNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-7-19-8-5-6-16-20(17,18)14-11(2)9-13(15)10-12(14)3/h9-10,16H,4-8,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 82950627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).