N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide

C22H39NO4S — CID 22758999

IUPACN-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(O)cccc1O
InChIInChI=1S/C22H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28(26,27)23-22-20(24)17-16-18-21(22)25/h16-18,23-25H,2-15,19H2,1H3
InChIKeyVAPFGXWAXSKVAP-UHFFFAOYSA-N
MW413.62 g/mol
LogP6.32
Rot. Bonds17

About N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide

N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide (PubChem CID 22758999) has the molecular formula C22H39NO4S and a molecular weight of 413.62 g/mol. Its IUPAC name is N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
PubChem CID22758999
Molecular FormulaC22H39NO4S
Molecular Weight413.62 g/mol
Exact Mass413.26
IUPAC NameN-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(O)cccc1O
InChIInChI=1S/C22H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28(26,27)23-22-20(24)17-16-18-21(22)25/h16-18,23-25H,2-15,19H2,1H3
InChIKeyVAPFGXWAXSKVAP-UHFFFAOYSA-N
XLogP6.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.62
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide
CID 54275719
benzene-1,2,3-triol;tris(octane-1-sulfonic acid)
CID 173082266
N-(2,5-dihydroxyphenyl)-3-(hexadecylsulfonylamino)benzamide
CID 19763169
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
CID 3585526
N-(3-acetyl-2-bromophenyl)hexadecane-1-sulfonamide
CID 70579694
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-(3-chloro-2-hydroxyphenyl)butane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)octane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)propane-2-sulfonamide
CID 158915765
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide?
The IUPAC name of N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide (CID 22758999) is N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide.
What is the SMILES notation for N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide?
The canonical SMILES for N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(O)cccc1O.
What is the InChIKey of N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide?
The InChIKey is VAPFGXWAXSKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28(26,27)23-22-20(24)17-16-18-21(22)25/h16-18,23-25H,2-15,19H2,1H3.
What are the key properties of N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide?
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide has a molecular weight of 413.62 g/mol, XLogP of 6.32, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide is sourced from PubChem (CID 22758999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).