5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide

C10H16N2O3S — CID 79973622

IUPAC5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H16N2O3S/c1-7-5-9(15-4)10(6-8(7)11)16(13,14)12(2)3/h5-6H,11H2,1-4H3
InChIKeyOJGHZUGECXLOFR-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.84
Rot. Bonds3

About 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide

5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide (PubChem CID 79973622) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
PubChem CID79973622
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H16N2O3S/c1-7-5-9(15-4)10(6-8(7)11)16(13,14)12(2)3/h5-6H,11H2,1-4H3
InChIKeyOJGHZUGECXLOFR-UHFFFAOYSA-N
XLogP0.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 79961889
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 102859186
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide (CID 79973622) is 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is OJGHZUGECXLOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7-5-9(15-4)10(6-8(7)11)16(13,14)12(2)3/h5-6H,11H2,1-4H3.
What are the key properties of 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 79973622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).