5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide

C12H20N2O3S — CID 79973956

IUPAC5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)12-8-10(13)9(3)7-11(12)17-4/h7-8H,5-6,13H2,1-4H3
InChIKeyFYJXSMQHXSGHDY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.62
Rot. Bonds5

About 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide

5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 79973956) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
PubChem CID79973956
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)12-8-10(13)9(3)7-11(12)17-4/h7-8H,5-6,13H2,1-4H3
InChIKeyFYJXSMQHXSGHDY-UHFFFAOYSA-N
XLogP1.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.62
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

5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 79961889
5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102945892
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
5-amino-N-ethyl-2,4-dimethoxy-N-prop-2-ynylbenzenesulfonamide
CID 102946052
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide (CID 79973956) is 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(N)c(C)cc1OC.
What is the InChIKey of 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is FYJXSMQHXSGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)12-8-10(13)9(3)7-11(12)17-4/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 79973956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).