5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide

C12H20N2O4S — CID 79974560

IUPAC5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H20N2O4S/c1-8-5-11(18-4)12(6-10(8)13)19(16,17)14(3)7-9(2)15/h5-6,9,15H,7,13H2,1-4H3
InChIKeyFOFIGGIAVYLNLN-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.59
Rot. Bonds5

About 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide

5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide (PubChem CID 79974560) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
PubChem CID79974560
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H20N2O4S/c1-8-5-11(18-4)12(6-10(8)13)19(16,17)14(3)7-9(2)15/h5-6,9,15H,7,13H2,1-4H3
InChIKeyFOFIGGIAVYLNLN-UHFFFAOYSA-N
XLogP0.59
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
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-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
CID 62335009
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 102859186
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide (CID 79974560) is 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide?
The InChIKey is FOFIGGIAVYLNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-8-5-11(18-4)12(6-10(8)13)19(16,17)14(3)7-9(2)15/h5-6,9,15H,7,13H2,1-4H3.
What are the key properties of 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide?
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 79974560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).