5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide

C14H24N2O3S — CID 115324528

IUPAC5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)6-4-5-9-16-20(17,18)14-10-12(15)7-8-13(14)19-3/h7-8,10-11,16H,4-6,9,15H2,1-3H3
InChIKeyXVZICGXGKLYDRK-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.38
Rot. Bonds8

About 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide

5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 115324528) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
PubChem CID115324528
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)6-4-5-9-16-20(17,18)14-10-12(15)7-8-13(14)19-3/h7-8,10-11,16H,4-6,9,15H2,1-3H3
InChIKeyXVZICGXGKLYDRK-UHFFFAOYSA-N
XLogP2.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.38
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

5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
CID 106208472
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
5-amino-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004393
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide (CID 115324528) is 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCCCCC(C)C.
What is the InChIKey of 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is XVZICGXGKLYDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)6-4-5-9-16-20(17,18)14-10-12(15)7-8-13(14)19-3/h7-8,10-11,16H,4-6,9,15H2,1-3H3.
What are the key properties of 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide?
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 115324528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).