N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide

C14H23NO3S — CID 18515612

IUPACN-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(CC)c1ccc(O)cc1
InChIInChI=1S/C14H23NO3S/c1-3-5-6-7-12-19(17,18)15(4-2)13-8-10-14(16)11-9-13/h8-11,16H,3-7,12H2,1-2H3
InChIKeyLWYNMQZPGXPXFS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.13
Rot. Bonds8

About N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide

N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide (PubChem CID 18515612) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide
PubChem CID18515612
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(CC)c1ccc(O)cc1
InChIInChI=1S/C14H23NO3S/c1-3-5-6-7-12-19(17,18)15(4-2)13-8-10-14(16)11-9-13/h8-11,16H,3-7,12H2,1-2H3
InChIKeyLWYNMQZPGXPXFS-UHFFFAOYSA-N
XLogP3.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide (CID 18515612) is N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide is CCCCCCS(=O)(=O)N(CC)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide?
The InChIKey is LWYNMQZPGXPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-5-6-7-12-19(17,18)15(4-2)13-8-10-14(16)11-9-13/h8-11,16H,3-7,12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide?
N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide is sourced from PubChem (CID 18515612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).