5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide

C14H24N2O3S — CID 61428651

IUPAC5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-19-13-7-6-12(15)10-14(13)20(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9,15H2,1-4H3
InChIKeyYKWXQFLEYWZVKH-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.33
Rot. Bonds7

About 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide

5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61428651) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61428651
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-19-13-7-6-12(15)10-14(13)20(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9,15H2,1-4H3
InChIKeyYKWXQFLEYWZVKH-UHFFFAOYSA-N
XLogP2.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
4-ethoxy-3-(3-methylbutylsulfonylmethyl)aniline
CID 107751673
5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61436327
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61428651) is 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is YKWXQFLEYWZVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-19-13-7-6-12(15)10-14(13)20(17,18)16(4)9-8-11(2)3/h6-7,10-11H,5,8-9,15H2,1-4H3.
What are the key properties of 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61428651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).