5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide

C11H18N2O4S — CID 79904949

IUPAC5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
SMILESCOCC(C)Oc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H18N2O4S/c1-7(6-16-3)17-10-4-9(12)5-11(8(10)2)18(13,14)15/h4-5,7H,6,12H2,1-3H3,(H2,13,14,15)
InChIKeyACYRTGUYLHYSNF-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide

5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide (PubChem CID 79904949) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
PubChem CID79904949
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
SMILESCOCC(C)Oc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H18N2O4S/c1-7(6-16-3)17-10-4-9(12)5-11(8(10)2)18(13,14)15/h4-5,7H,6,12H2,1-3H3,(H2,13,14,15)
InChIKeyACYRTGUYLHYSNF-UHFFFAOYSA-N
XLogP0.64
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.64
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-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 79904731
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
methyl 2-(5-amino-2-methyl-3-sulfamoylphenyl)sulfanylacetate
CID 79904951
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
methyl 3-(5-amino-2-methyl-3-sulfamoylphenyl)sulfanylpropanoate
CID 79904879
5-amino-3-(2-hydroxyethylsulfanyl)-2-methylbenzenesulfonamide
CID 79904878
5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
CID 79896644

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide (CID 79904949) is 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide is COCC(C)Oc1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide?
The InChIKey is ACYRTGUYLHYSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7(6-16-3)17-10-4-9(12)5-11(8(10)2)18(13,14)15/h4-5,7H,6,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide?
5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79904949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).