5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide

C13H18N2O3S — CID 106208472

IUPAC5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H18N2O3S/c1-3-4-5-6-9-15-19(16,17)13-10-11(14)7-8-12(13)18-2/h1,7-8,10,15H,4-6,9,14H2,2H3
InChIKeyDLEWWOOTUBTQMR-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.36
Rot. Bonds7

About 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide

5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide (PubChem CID 106208472) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
PubChem CID106208472
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
SMILESC#CCCCCNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H18N2O3S/c1-3-4-5-6-9-15-19(16,17)13-10-11(14)7-8-12(13)18-2/h1,7-8,10,15H,4-6,9,14H2,2H3
InChIKeyDLEWWOOTUBTQMR-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
4-amino-2-cyano-N-pent-4-ynylbenzenesulfonamide
CID 106219873
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide (CID 106208472) is 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide is C#CCCCCNS(=O)(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide?
The InChIKey is DLEWWOOTUBTQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-4-5-6-9-15-19(16,17)13-10-11(14)7-8-12(13)18-2/h1,7-8,10,15H,4-6,9,14H2,2H3.
What are the key properties of 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide?
5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106208472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).