5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide

C12H20N2O4S — CID 102694373

IUPAC5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C12H20N2O4S/c1-8-5-11(18-4)12(6-10(8)13)19(15,16)14-7-9(2)17-3/h5-6,9,14H,7,13H2,1-4H3
InChIKeyFEHIYFJAYGQSKX-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.90
Rot. Bonds6

About 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide

5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide (PubChem CID 102694373) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
PubChem CID102694373
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C12H20N2O4S/c1-8-5-11(18-4)12(6-10(8)13)19(15,16)14-7-9(2)17-3/h5-6,9,14H,7,13H2,1-4H3
InChIKeyFEHIYFJAYGQSKX-UHFFFAOYSA-N
XLogP0.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.90
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

methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide (CID 102694373) is 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NCC(C)OC.
What is the InChIKey of 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is FEHIYFJAYGQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-8-5-11(18-4)12(6-10(8)13)19(15,16)14-7-9(2)17-3/h5-6,9,14H,7,13H2,1-4H3.
What are the key properties of 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide?
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102694373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).