3-amino-4-butoxy-N-methylbenzenesulfonamide

C11H18N2O3S — CID 43449328

IUPAC3-amino-4-butoxy-N-methylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NC)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-4-7-16-11-6-5-9(8-10(11)12)17(14,15)13-2/h5-6,8,13H,3-4,7,12H2,1-2H3
InChIKeyYLNHDMSOOQNMNE-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.36
Rot. Bonds6

About 3-amino-4-butoxy-N-methylbenzenesulfonamide

3-amino-4-butoxy-N-methylbenzenesulfonamide (PubChem CID 43449328) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-amino-4-butoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-butoxy-N-methylbenzenesulfonamide
PubChem CID43449328
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-amino-4-butoxy-N-methylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NC)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-4-7-16-11-6-5-9(8-10(11)12)17(14,15)13-2/h5-6,8,13H,3-4,7,12H2,1-2H3
InChIKeyYLNHDMSOOQNMNE-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
CID 106446796
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
3-amino-4-(2,4-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449278
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-butoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-butoxy-N-methylbenzenesulfonamide (CID 43449328) is 3-amino-4-butoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-butoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-butoxy-N-methylbenzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NC)cc1N.
What is the InChIKey of 3-amino-4-butoxy-N-methylbenzenesulfonamide?
The InChIKey is YLNHDMSOOQNMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-4-7-16-11-6-5-9(8-10(11)12)17(14,15)13-2/h5-6,8,13H,3-4,7,12H2,1-2H3.
What are the key properties of 3-amino-4-butoxy-N-methylbenzenesulfonamide?
3-amino-4-butoxy-N-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-butoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).