2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide

C12H20N2O3S — CID 43153258

IUPAC2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-9-7-11(13)12(8-10(9)2)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3
InChIKeyAGWCPIAWRMNHGT-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.20
Rot. Bonds6

About 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43153258) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
PubChem CID43153258
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-9-7-11(13)12(8-10(9)2)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3
InChIKeyAGWCPIAWRMNHGT-UHFFFAOYSA-N
XLogP1.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.20
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

2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-amino-4,5-dimethyl-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61127178
3-amino-N-(3-methoxypropyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503739
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 110757792
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide (CID 43153258) is 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide is COCCCNS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is AGWCPIAWRMNHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-7-11(13)12(8-10(9)2)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3.
What are the key properties of 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43153258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).