5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide

C12H20N2O3S — CID 103287848

IUPAC5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OC(C)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-8(2)9(3)17-11-6-5-10(13)7-12(11)18(15,16)14-4/h5-9,14H,13H2,1-4H3
InChIKeyJKPPLPYXLARRHC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.60
Rot. Bonds5

About 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide

5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide (PubChem CID 103287848) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
PubChem CID103287848
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OC(C)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-8(2)9(3)17-11-6-5-10(13)7-12(11)18(15,16)14-4/h5-9,14H,13H2,1-4H3
InChIKeyJKPPLPYXLARRHC-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
CID 103287820
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 103287763
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
CID 103287806
5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 103287799
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
CID 103287840

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide (CID 103287848) is 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1OC(C)C(C)C.
What is the InChIKey of 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide?
The InChIKey is JKPPLPYXLARRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8(2)9(3)17-11-6-5-10(13)7-12(11)18(15,16)14-4/h5-9,14H,13H2,1-4H3.
What are the key properties of 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide?
5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 103287848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).